[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate

C22H27O8P — CID 71814775

IUPAC[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate
SMILESCO[P@@]1(=O)O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C22H27O8P/c1-16(24)29-22-21(28-15-18-11-7-4-8-12-18)20(19(13-23)30-31(22,25)26-2)27-14-17-9-5-3-6-10-17/h3-12,19-23H,13-15H2,1-2H3/t19-,20-,21+,22+,31-/m1/s1
InChIKeyIATNXRBLFMKEND-GVSKMIIFSA-N
MW450.42 g/mol
LogP3.28
Rot. Bonds9

About [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate

[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate (PubChem CID 71814775) has the molecular formula C22H27O8P and a molecular weight of 450.42 g/mol. Its IUPAC name is [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate
PubChem CID71814775
Molecular FormulaC22H27O8P
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC Name[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate
SMILESCO[P@@]1(=O)O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C22H27O8P/c1-16(24)29-22-21(28-15-18-11-7-4-8-12-18)20(19(13-23)30-31(22,25)26-2)27-14-17-9-5-3-6-10-17/h3-12,19-23H,13-15H2,1-2H3/t19-,20-,21+,22+,31-/m1/s1
InChIKeyIATNXRBLFMKEND-GVSKMIIFSA-N
XLogP3.28
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-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

[(2S,3S,4S,5S,6R)-2-[[(2S,3R,4S,5S,6R)-3-hydroxy-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-6-yl]methoxy]-2-oxo-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-yl] acetate
CID 71814958
[(2S,3R,4R,5S)-4,5-diacetyloxy-1-methoxy-1-oxo-2-phenylmethoxy-1λ5-phospholan-3-yl] acetate
CID 134930068
[(1R,2S,3S,4S,5R,6R)-5,6-diacetyloxy-1-methoxy-1-oxo-4-phenylmethoxy-2-(phenylmethoxymethyl)-1λ5-phosphinan-3-yl] acetate
CID 23419532
[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl] acetate
CID 67926222
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)-2-[[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]oxan-3-yl] acetate
CID 10260214
[(3S,6R)-6-bromo-4-hydroxy-2-(hydroxymethyl)-5-phenylmethoxyoxan-3-yl] acetate
CID 160818998
(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide
CID 10790441
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)-4-phenylmethoxyoxan-3-yl] acetate
CID 15409218
[(3R,4S,5S)-6-(hydroxymethyl)-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 25265643

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate?
The IUPAC name of [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate (CID 71814775) is [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate is CO[P@@]1(=O)O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate?
The InChIKey is IATNXRBLFMKEND-GVSKMIIFSA-N. The full InChI is InChI=1S/C22H27O8P/c1-16(24)29-22-21(28-15-18-11-7-4-8-12-18)20(19(13-23)30-31(22,25)26-2)27-14-17-9-5-3-6-10-17/h3-12,19-23H,13-15H2,1-2H3/t19-,20-,21+,22+,31-/m1/s1.
What are the key properties of [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate?
[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate has a molecular weight of 450.42 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate is sourced from PubChem (CID 71814775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).