diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate

C47H47O8P — CID 11228060

IUPACdiphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
SMILESO=P(OCC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C47H47O8P/c48-56(54-42-27-15-5-16-28-42,55-43-29-17-6-18-30-43)53-36-41-31-44(49-32-37-19-7-1-8-20-37)46(51-34-39-23-11-3-12-24-39)47(52-35-40-25-13-4-14-26-40)45(41)50-33-38-21-9-2-10-22-38/h1-30,41,44-47H,31-36H2/t41?,44-,45-,46+,47+/m1/s1
InChIKeyFUAFNLWFFKQOFO-LCOVSUJRSA-N
MW770.86 g/mol
LogP10.63
Rot. Bonds19

About diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate

diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate (PubChem CID 11228060) has the molecular formula C47H47O8P and a molecular weight of 770.86 g/mol. Its IUPAC name is diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate.

Molecular Properties

Compound Namediphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
PubChem CID11228060
Molecular FormulaC47H47O8P
Molecular Weight770.86 g/mol
Exact Mass770.30
IUPAC Namediphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
SMILESO=P(OCC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C47H47O8P/c48-56(54-42-27-15-5-16-28-42,55-43-29-17-6-18-30-43)53-36-41-31-44(49-32-37-19-7-1-8-20-37)46(51-34-39-23-11-3-12-24-39)47(52-35-40-25-13-4-14-26-40)45(41)50-33-38-21-9-2-10-22-38/h1-30,41,44-47H,31-36H2/t41?,44-,45-,46+,47+/m1/s1
InChIKeyFUAFNLWFFKQOFO-LCOVSUJRSA-N
XLogP10.63
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.86
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate 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

[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
[(2S,3S,4R,5R)-5-(diphenoxyphosphoryloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl-[hydroxy(phenoxy)phosphoryl]oxyphosphinic acid
CID 11422925
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
[(2R,3S,5R,6R)-3,5-dihydroxy-2,4,6-tris(phenylmethoxy)cyclohexyl] diphenyl phosphate
CID 11422539
3-[2,3,4-tris(phenylmethoxy)cyclopentyl]propan-1-ol
CID 67824226
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,2S,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 134930284
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
[(2R,5S)-5-[methyl(sulfino)amino]-2,3-bis(phenylmethoxy)cyclohexyl]methoxymethylbenzene
CID 146430318
[(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
CID 148610359
CID 148610359
(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 126612116

Frequently Asked Questions

What is the IUPAC name of diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate?
The IUPAC name of diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate (CID 11228060) is diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate.
What is the SMILES notation for diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate?
The canonical SMILES for diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate is O=P(OCC1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate?
The InChIKey is FUAFNLWFFKQOFO-LCOVSUJRSA-N. The full InChI is InChI=1S/C47H47O8P/c48-56(54-42-27-15-5-16-28-42,55-43-29-17-6-18-30-43)53-36-41-31-44(49-32-37-19-7-1-8-20-37)46(51-34-39-23-11-3-12-24-39)47(52-35-40-25-13-4-14-26-40)45(41)50-33-38-21-9-2-10-22-38/h1-30,41,44-47H,31-36H2/t41?,44-,45-,46+,47+/m1/s1.
What are the key properties of diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate?
diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate has a molecular weight of 770.86 g/mol, XLogP of 10.63, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate is sourced from PubChem (CID 11228060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).