[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite

C33H42NO8P — CID 11786834

IUPAC[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite
SMILESCCOP(OCC)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C33H42NO8P/c1-4-39-43(40-5-2)42-33-30(34-25(3)35)32(38-23-28-19-13-8-14-20-28)31(37-22-27-17-11-7-12-18-27)29(41-33)24-36-21-26-15-9-6-10-16-26/h6-20,29-33H,4-5,21-24H2,1-3H3,(H,34,35)/t29-,30-,31-,32-,33-/m1/s1
InChIKeyCUUJACAHVHJJIZ-YKNMHBIISA-N
MW611.67 g/mol
LogP5.92
Rot. Bonds17

About [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite

[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite (PubChem CID 11786834) has the molecular formula C33H42NO8P and a molecular weight of 611.67 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite
PubChem CID11786834
Molecular FormulaC33H42NO8P
Molecular Weight611.67 g/mol
Exact Mass611.26
IUPAC Name[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite
SMILESCCOP(OCC)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C33H42NO8P/c1-4-39-43(40-5-2)42-33-30(34-25(3)35)32(38-23-28-19-13-8-14-20-28)31(37-22-27-17-11-7-12-18-27)29(41-33)24-36-21-26-15-9-6-10-16-26/h6-20,29-33H,4-5,21-24H2,1-3H3,(H,34,35)/t29-,30-,31-,32-,33-/m1/s1
InChIKeyCUUJACAHVHJJIZ-YKNMHBIISA-N
XLogP5.92
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.67
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite?
The IUPAC name of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite (CID 11786834) is [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite?
The canonical SMILES for [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite is CCOP(OCC)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite?
The InChIKey is CUUJACAHVHJJIZ-YKNMHBIISA-N. The full InChI is InChI=1S/C33H42NO8P/c1-4-39-43(40-5-2)42-33-30(34-25(3)35)32(38-23-28-19-13-8-14-20-28)31(37-22-27-17-11-7-12-18-27)29(41-33)24-36-21-26-15-9-6-10-16-26/h6-20,29-33H,4-5,21-24H2,1-3H3,(H,34,35)/t29-,30-,31-,32-,33-/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite?
[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite has a molecular weight of 611.67 g/mol, XLogP of 5.92, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] diethyl phosphite is sourced from PubChem (CID 11786834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).