[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate

C29H35O9P — CID 11071783

IUPAC[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate
SMILESCOP(=O)(OC)C(O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O
InChIInChI=1S/C29H35O9P/c1-33-39(32,34-2)29(31)28(37-20-25-16-10-5-11-17-25)27(36-19-24-14-8-4-9-15-24)26(38-22-30)21-35-18-23-12-6-3-7-13-23/h3-17,22,26-29,31H,18-21H2,1-2H3/t26-,27-,28+,29?/m1/s1
InChIKeyOAWSYQMLPAZIHV-HFVNIMEJSA-N
MW558.56 g/mol
LogP4.72
Rot. Bonds18

About [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate

[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate (PubChem CID 11071783) has the molecular formula C29H35O9P and a molecular weight of 558.56 g/mol. Its IUPAC name is [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate.

Molecular Properties

Compound Name[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate
PubChem CID11071783
Molecular FormulaC29H35O9P
Molecular Weight558.56 g/mol
Exact Mass558.20
IUPAC Name[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate
SMILESCOP(=O)(OC)C(O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O
InChIInChI=1S/C29H35O9P/c1-33-39(32,34-2)29(31)28(37-20-25-16-10-5-11-17-25)27(36-19-24-14-8-4-9-15-24)26(38-22-30)21-35-18-23-12-6-3-7-13-23/h3-17,22,26-29,31H,18-21H2,1-2H3/t26-,27-,28+,29?/m1/s1
InChIKeyOAWSYQMLPAZIHV-HFVNIMEJSA-N
XLogP4.72
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
CID 177394840
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
[(2R,3S)-4-diphenylphosphoryl-1,3-bis(phenylmethoxy)pent-4-en-2-yl] formate
CID 102448049
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
CID 24857975
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate?
The IUPAC name of [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate (CID 11071783) is [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate.
What is the SMILES notation for [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate?
The canonical SMILES for [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate is COP(=O)(OC)C(O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OC=O.
What is the InChIKey of [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate?
The InChIKey is OAWSYQMLPAZIHV-HFVNIMEJSA-N. The full InChI is InChI=1S/C29H35O9P/c1-33-39(32,34-2)29(31)28(37-20-25-16-10-5-11-17-25)27(36-19-24-14-8-4-9-15-24)26(38-22-30)21-35-18-23-12-6-3-7-13-23/h3-17,22,26-29,31H,18-21H2,1-2H3/t26-,27-,28+,29?/m1/s1.
What are the key properties of [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate?
[(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate has a molecular weight of 558.56 g/mol, XLogP of 4.72, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-5-dimethoxyphosphoryl-5-hydroxy-1,3,4-tris(phenylmethoxy)pentan-2-yl] formate is sourced from PubChem (CID 11071783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).