Tetrahydrospectinomycin
TL;DR: Tetrahydrospectinomycin (CAS 93129-27-2) is a chemical compound with molecular formula C30H40N2O11 and molecular weight 604.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[3-(3,4-dihydroxy-6-methyloxan-2-yl)oxy-2,4,6-trihydroxy-5-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]-N-methylcarbamate
Also Known As: Tetrahydrospectinomycin, 4(R),4a(R)-Tetrahydrospectinomycin, benzyl N-[3-(3,4-dihydroxy-6-methyloxan-2-yl)oxy-2,4,6-trihydroxy-5-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]-N-methylcarbamate, dibenzyl{5-[(4,6-dideoxyhexopyranosyl)oxy]-2,4,6-trihydroxycyclohexane-1,3-diyl}bis(methylcarbamate), D-myo-Inositol, 1,3-dideoxy-5-O-(4,6-dideoxy-beta-D-ribo-hexopyranosyl)-1,3-bis(methyl((phenylmethoxy)carbonyl)amino)-
| Molecular Formula | C30H40N2O11 |
|---|---|
| Molecular Weight | 604.26 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 604.2632 |
| Heavy Atoms | 43 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 93129-27-2 |
|---|---|
| SMILES | CC1CC(C(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)OCC3=CC=CC=C3)O)N(C)C(=O)OCC4=CC=CC=C4)O)O)O |
| InChIKey | SPNSXDDNTCSXTH-UHFFFAOYSA-N |
Product Overview
Tetrahydrospectinomycin (CAS 93129-27-2), with molecular formula C30H40N2O11 and molecular weight 604.26 g/mol. IUPAC: benzyl N-[3-(3,4-dihydroxy-6-methyloxan-2-yl)oxy-2,4,6-trihydroxy-5-[methyl(phenylmethoxycarbonyl)amino]cyclohexyl]-N-methylcarbamate.
Chemical Property Profile of Tetrahydrospectinomycin
Property Insights of Tetrahydrospectinomycin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrospectinomycin. The TPSA of 179.0 Ų indicates high polarity, suggesting Tetrahydrospectinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydrospectinomycin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrahydrospectinomycin?
The CAS number of Tetrahydrospectinomycin is 93129-27-2.
What is the molecular formula of Tetrahydrospectinomycin?
The molecular formula of Tetrahydrospectinomycin is C30H40N2O11.
What is the molecular weight of Tetrahydrospectinomycin?
The molecular weight of Tetrahydrospectinomycin is 604.26 g/mol.
Where can I buy Tetrahydrospectinomycin?
You can request a quote for Tetrahydrospectinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrospectinomycin?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrospectinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.