(2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane

C28H33O7P — CID 71814425

IUPAC(2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane
SMILESCOCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@]1O
InChIInChI=1S/C28H33O7P/c1-30-21-34-28-27(33-19-24-15-9-4-10-16-24)26(32-18-23-13-7-3-8-14-23)25(35-36(28)29)20-31-17-22-11-5-2-6-12-22/h2-16,25-29H,17-21H2,1H3/t25-,26-,27+,28+,36+/m1/s1
InChIKeyNTMUIGMROXRWFJ-IUPFYGJLSA-N
MW512.54 g/mol
LogP5.02
Rot. Bonds13

About (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane

(2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane (PubChem CID 71814425) has the molecular formula C28H33O7P and a molecular weight of 512.54 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane
PubChem CID71814425
Molecular FormulaC28H33O7P
Molecular Weight512.54 g/mol
Exact Mass512.20
IUPAC Name(2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane
SMILESCOCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@]1O
InChIInChI=1S/C28H33O7P/c1-30-21-34-28-27(33-19-24-15-9-4-10-16-24)26(32-18-23-13-7-3-8-14-23)25(35-36(28)29)20-31-17-22-11-5-2-6-12-22/h2-16,25-29H,17-21H2,1H3/t25-,26-,27+,28+,36+/m1/s1
InChIKeyNTMUIGMROXRWFJ-IUPFYGJLSA-N
XLogP5.02
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane 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

CID 71812534
CID 71812534
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
O-phenyl (2R,3R,4S,5R,6R)-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbothioate
CID 10963137
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane?
The IUPAC name of (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane (CID 71814425) is (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane is COCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane?
The InChIKey is NTMUIGMROXRWFJ-IUPFYGJLSA-N. The full InChI is InChI=1S/C28H33O7P/c1-30-21-34-28-27(33-19-24-15-9-4-10-16-24)26(32-18-23-13-7-3-8-14-23)25(35-36(28)29)20-31-17-22-11-5-2-6-12-22/h2-16,25-29H,17-21H2,1H3/t25-,26-,27+,28+,36+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane?
(2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane has a molecular weight of 512.54 g/mol, XLogP of 5.02, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-hydroxy-3-(methoxymethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxaphosphinane is sourced from PubChem (CID 71814425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).