[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate

C30H30O8P2 — CID 98141630

IUPAC[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)O[C@H]1CCCC[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H30O8P2/c31-39(33-25-15-5-1-6-16-25,34-26-17-7-2-8-18-26)37-29-23-13-14-24-30(29)38-40(32,35-27-19-9-3-10-20-27)36-28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30+
InChIKeyYVYCPYNXICLAGD-RNPORBBMSA-N
MW580.51 g/mol
LogP8.86
Rot. Bonds12

About [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate

[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate (PubChem CID 98141630) has the molecular formula C30H30O8P2 and a molecular weight of 580.51 g/mol. Its IUPAC name is [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate.

Molecular Properties

Compound Name[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
PubChem CID98141630
Molecular FormulaC30H30O8P2
Molecular Weight580.51 g/mol
Exact Mass580.14
IUPAC Name[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)O[C@H]1CCCC[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C30H30O8P2/c31-39(33-25-15-5-1-6-16-25,34-26-17-7-2-8-18-26)37-29-23-13-14-24-30(29)38-40(32,35-27-19-9-3-10-20-27)36-28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30+
InChIKeyYVYCPYNXICLAGD-RNPORBBMSA-N
XLogP8.86
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.51
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate
CID 165353141
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
diphenyl silyl phosphate
CID 71371486
tris(4-phenoxyphenyl) phosphate
CID 70576220
CID 175741196
CID 175741196
2-methylpropane;triphenyl phosphate
CID 91193965
4-[(1R,2R)-2-bromocyclopentyl]oxybutyl diphenyl phosphate
CID 132526475
chloro diphenyl phosphate;hydrate
CID 70610879
[(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-yl] diphenyl phosphate
CID 11059330

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate?
The IUPAC name of [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate (CID 98141630) is [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate.
What is the SMILES notation for [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate?
The canonical SMILES for [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H]1CCCC[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate?
The InChIKey is YVYCPYNXICLAGD-RNPORBBMSA-N. The full InChI is InChI=1S/C30H30O8P2/c31-39(33-25-15-5-1-6-16-25,34-26-17-7-2-8-18-26)37-29-23-13-14-24-30(29)38-40(32,35-27-19-9-3-10-20-27)36-28-21-11-4-12-22-28/h1-12,15-22,29-30H,13-14,23-24H2/t29-,30+.
What are the key properties of [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate?
[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate has a molecular weight of 580.51 g/mol, XLogP of 8.86, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate is sourced from PubChem (CID 98141630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).