[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate

C40H37N3O9 — CID 23748511

IUPAC[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate
SMILESCO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1OC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C40H37N3O9/c1-48-37-36(52-40(47)43-32-24-14-12-22-30(32)27-17-7-3-8-18-27)35(34(33(25-44)49-37)50-38(45)41-28-19-9-4-10-20-28)51-39(46)42-31-23-13-11-21-29(31)26-15-5-2-6-16-26/h2-24,33-37,44H,25H2,1H3,(H,41,45)(H,42,46)(H,43,47)/t33-,34-,35+,36+,37+/m1/s1
InChIKeyRKPTWSXVLUXDHF-DWCHZDDLSA-N
MW703.75 g/mol
LogP7.54
Rot. Bonds10

About [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate

[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate (PubChem CID 23748511) has the molecular formula C40H37N3O9 and a molecular weight of 703.75 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate
PubChem CID23748511
Molecular FormulaC40H37N3O9
Molecular Weight703.75 g/mol
Exact Mass703.25
IUPAC Name[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate
SMILESCO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1OC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C40H37N3O9/c1-48-37-36(52-40(47)43-32-24-14-12-22-30(32)27-17-7-3-8-18-27)35(34(33(25-44)49-37)50-38(45)41-28-19-9-4-10-20-28)51-39(46)42-31-23-13-11-21-29(31)26-15-5-2-6-16-26/h2-24,33-37,44H,25H2,1H3,(H,41,45)(H,42,46)(H,43,47)/t33-,34-,35+,36+,37+/m1/s1
InChIKeyRKPTWSXVLUXDHF-DWCHZDDLSA-N
XLogP7.54
TPSA153.68 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.75
LogP ≤ 57.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate?
The IUPAC name of [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate (CID 23748511) is [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate.
What is the SMILES notation for [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate?
The canonical SMILES for [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate is CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@@H]1OC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate?
The InChIKey is RKPTWSXVLUXDHF-DWCHZDDLSA-N. The full InChI is InChI=1S/C40H37N3O9/c1-48-37-36(52-40(47)43-32-24-14-12-22-30(32)27-17-7-3-8-18-27)35(34(33(25-44)49-37)50-38(45)41-28-19-9-4-10-20-28)51-39(46)42-31-23-13-11-21-29(31)26-15-5-2-6-16-26/h2-24,33-37,44H,25H2,1H3,(H,41,45)(H,42,46)(H,43,47)/t33-,34-,35+,36+,37+/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate?
[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate has a molecular weight of 703.75 g/mol, XLogP of 7.54, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[(2-phenylphenyl)carbamoyloxy]oxan-3-yl] N-phenylcarbamate is sourced from PubChem (CID 23748511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).