[(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate

C32H37NO8 — CID 101052532

IUPAC[(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OC(C)C)O[C@@H]1COC(=O)Nc1ccccc1
InChIInChI=1S/C32H37NO8/c1-22(2)39-31-30(37-20-25-15-9-5-10-16-25)29(36-19-24-13-7-4-8-14-24)28(40-23(3)34)27(41-31)21-38-32(35)33-26-17-11-6-12-18-26/h4-18,22,27-31H,19-21H2,1-3H3,(H,33,35)/t27-,28-,29+,30-,31-/m1/s1
InChIKeyIYVDZRBPZLWKDO-PXPWAULYSA-N
MW563.65 g/mol
LogP5.49
Rot. Bonds12

About [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate

[(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate (PubChem CID 101052532) has the molecular formula C32H37NO8 and a molecular weight of 563.65 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate
PubChem CID101052532
Molecular FormulaC32H37NO8
Molecular Weight563.65 g/mol
Exact Mass563.25
IUPAC Name[(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OC(C)C)O[C@@H]1COC(=O)Nc1ccccc1
InChIInChI=1S/C32H37NO8/c1-22(2)39-31-30(37-20-25-15-9-5-10-16-25)29(36-19-24-13-7-4-8-14-24)28(40-23(3)34)27(41-31)21-38-32(35)33-26-17-11-6-12-18-26/h4-18,22,27-31H,19-21H2,1-3H3,(H,33,35)/t27-,28-,29+,30-,31-/m1/s1
InChIKeyIYVDZRBPZLWKDO-PXPWAULYSA-N
XLogP5.49
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.65
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3R,4S,5R,6R)-6-cyclohexyloxy-2-[(4-methoxyphenyl)carbamoyloxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 101052537
methyl (2S)-2-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
CID 170518379
[(2R,3S,4S,5R,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 12900869
dimethyl (2R,3R)-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3-[(3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutanedioate
CID 170858200
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl acetate
CID 134882849
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[(2R,3R,5S,6S)-2,3,5,6-tetraacetyloxy-4-phenylmethoxycyclohexyl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 102152290
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-3,6-bis[[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 101470707
[(2S,3R,4S,5S,6R)-3,4,6-triacetyloxy-5-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-phenylmethoxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 118869888
(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912
[(2R,3R,4S,5S,6S)-6-[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 100984999
[(2R,3S,4S,5R,6R)-3-acetyloxy-6-[(2R,3S,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11858571

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate (CID 101052532) is [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OC(C)C)O[C@@H]1COC(=O)Nc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate?
The InChIKey is IYVDZRBPZLWKDO-PXPWAULYSA-N. The full InChI is InChI=1S/C32H37NO8/c1-22(2)39-31-30(37-20-25-15-9-5-10-16-25)29(36-19-24-13-7-4-8-14-24)28(40-23(3)34)27(41-31)21-38-32(35)33-26-17-11-6-12-18-26/h4-18,22,27-31H,19-21H2,1-3H3,(H,33,35)/t27-,28-,29+,30-,31-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate?
[(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate has a molecular weight of 563.65 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-2-(phenylcarbamoyloxymethyl)-4,5-bis(phenylmethoxy)-6-propan-2-yloxyoxan-3-yl] acetate is sourced from PubChem (CID 101052532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).