![3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea structure](/static/products/6402/64021-93-8.webp)
3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea
TL;DR: 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea (CAS 64021-93-8) is a chemical compound with molecular formula C16H28N6O13 and molecular weight 512.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea
Also Known As: 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea, .alpha.-D-Glucopyranoside, 6-deoxy-6-[[(methylnitrosoamino)carbonyl]amino]-.beta.-D-fructofuranosyl 6-deoxy-6-[[(methylnitrosoamino)carbonyl]amino]-, 6-Deoxy-6-{[methyl(nitroso)carbamoyl]amino}hex-2-ulofuranosyl 6-deoxy-6-{[methyl(nitroso)carbamoyl]amino}hexopyranoside
| Molecular Formula | C16H28N6O13 |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.17145 |
| Heavy Atoms | 35 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 64021-93-8 |
|---|---|
| SMILES | CN(C(=O)NCC1C(C(C(C(O1)OC2(C(C(C(O2)CNC(=O)N(C)N=O)O)O)CO)O)O)O)N=O |
| InChIKey | YFDBCMOVVXGSMP-UHFFFAOYSA-N |
Product Overview
3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea (CAS 64021-93-8), with molecular formula C16H28N6O13 and molecular weight 512.17 g/mol. IUPAC: 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea.
Chemical Property Profile of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea
Property Insights of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea
The XLogP value of -4.3 indicates that 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea?
The CAS number of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea is 64021-93-8.
What is the molecular formula of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea?
The molecular formula of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea is C16H28N6O13.
What is the molecular weight of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea?
The molecular weight of 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea is 512.17 g/mol.
Where can I buy 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea?
You can request a quote for 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[[6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]-1-methyl-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.