[(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate

C25H25O7P — CID 10972702

IUPAC[(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate
SMILESO=P(OC[C@H]1C[C@H](O)[C@@H]2O[C@H](c3ccccc3)O[C@H]12)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H25O7P/c26-22-16-19(23-24(22)30-25(29-23)18-10-4-1-5-11-18)17-28-33(27,31-20-12-6-2-7-13-20)32-21-14-8-3-9-15-21/h1-15,19,22-26H,16-17H2/t19-,22+,23-,24+,25-/m1/s1
InChIKeyZYUGCPWZIBCLIZ-FRJZNQBJSA-N
MW468.44 g/mol
LogP5.13
Rot. Bonds8

About [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate

[(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate (PubChem CID 10972702) has the molecular formula C25H25O7P and a molecular weight of 468.44 g/mol. Its IUPAC name is [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate.

Molecular Properties

Compound Name[(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate
PubChem CID10972702
Molecular FormulaC25H25O7P
Molecular Weight468.44 g/mol
Exact Mass468.13
IUPAC Name[(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate
SMILESO=P(OC[C@H]1C[C@H](O)[C@@H]2O[C@H](c3ccccc3)O[C@H]12)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H25O7P/c26-22-16-19(23-24(22)30-25(29-23)18-10-4-1-5-11-18)17-28-33(27,31-20-12-6-2-7-13-20)32-21-14-8-3-9-15-21/h1-15,19,22-26H,16-17H2/t19-,22+,23-,24+,25-/m1/s1
InChIKeyZYUGCPWZIBCLIZ-FRJZNQBJSA-N
XLogP5.13
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate?
The IUPAC name of [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate (CID 10972702) is [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate.
What is the SMILES notation for [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate?
The canonical SMILES for [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate is O=P(OC[C@H]1C[C@H](O)[C@@H]2O[C@H](c3ccccc3)O[C@H]12)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate?
The InChIKey is ZYUGCPWZIBCLIZ-FRJZNQBJSA-N. The full InChI is InChI=1S/C25H25O7P/c26-22-16-19(23-24(22)30-25(29-23)18-10-4-1-5-11-18)17-28-33(27,31-20-12-6-2-7-13-20)32-21-14-8-3-9-15-21/h1-15,19,22-26H,16-17H2/t19-,22+,23-,24+,25-/m1/s1.
What are the key properties of [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate?
[(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate has a molecular weight of 468.44 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,4S,6R,6aR)-4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl diphenyl phosphate is sourced from PubChem (CID 10972702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).