benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate

C24H30N2O9 — CID 67243944

IUPACbenzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate
SMILESO=C(NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H30N2O9/c27-13-18-20(28)21(29)19(26-24(31)34-15-17-9-5-2-6-10-17)22(35-18)32-12-11-25-23(30)33-14-16-7-3-1-4-8-16/h1-10,18-22,27-29H,11-15H2,(H,25,30)(H,26,31)/t18-,19-,20-,21-,22-/m1/s1
InChIKeyJXTBYTBLMOXVHF-ZGJYDULXSA-N
MW490.51 g/mol
LogP0.66
Rot. Bonds10

About benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate

benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate (PubChem CID 67243944) has the molecular formula C24H30N2O9 and a molecular weight of 490.51 g/mol. Its IUPAC name is benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate
PubChem CID67243944
Molecular FormulaC24H30N2O9
Molecular Weight490.51 g/mol
Exact Mass490.20
IUPAC Namebenzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate
SMILESO=C(NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H30N2O9/c27-13-18-20(28)21(29)19(26-24(31)34-15-17-9-5-2-6-10-17)22(35-18)32-12-11-25-23(30)33-14-16-7-3-1-4-8-16/h1-10,18-22,27-29H,11-15H2,(H,25,30)(H,26,31)/t18-,19-,20-,21-,22-/m1/s1
InChIKeyJXTBYTBLMOXVHF-ZGJYDULXSA-N
XLogP0.66
TPSA155.81 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate 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 benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate (CID 67243944) is benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate is O=C(NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate?
The InChIKey is JXTBYTBLMOXVHF-ZGJYDULXSA-N. The full InChI is InChI=1S/C24H30N2O9/c27-13-18-20(28)21(29)19(26-24(31)34-15-17-9-5-2-6-10-17)22(35-18)32-12-11-25-23(30)33-14-16-7-3-1-4-8-16/h1-10,18-22,27-29H,11-15H2,(H,25,30)(H,26,31)/t18-,19-,20-,21-,22-/m1/s1.
What are the key properties of benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate?
benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate has a molecular weight of 490.51 g/mol, XLogP of 0.66, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(phenylmethoxycarbonylamino)ethoxy]oxan-3-yl]carbamate is sourced from PubChem (CID 67243944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).