[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane

C31H30O2P2 — CID 10909079

IUPAC[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane
SMILESc1ccc(P(O[C@@H]2C[C@@H]3C[C@H](OP(c4ccccc4)c4ccccc4)[C@@H]3C2)c2ccccc2)cc1
InChIInChI=1S/C31H30O2P2/c1-5-13-26(14-6-1)34(27-15-7-2-8-16-27)32-25-21-24-22-31(30(24)23-25)33-35(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2/t24-,25-,30-,31+/m1/s1
InChIKeyAGGJIVJTNNJKSV-ISYCQBLMSA-N
MW496.53 g/mol
LogP6.28
Rot. Bonds8

About [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane

[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane (PubChem CID 10909079) has the molecular formula C31H30O2P2 and a molecular weight of 496.53 g/mol. Its IUPAC name is [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane
PubChem CID10909079
Molecular FormulaC31H30O2P2
Molecular Weight496.53 g/mol
Exact Mass496.17
IUPAC Name[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane
SMILESc1ccc(P(O[C@@H]2C[C@@H]3C[C@H](OP(c4ccccc4)c4ccccc4)[C@@H]3C2)c2ccccc2)cc1
InChIInChI=1S/C31H30O2P2/c1-5-13-26(14-6-1)34(27-15-7-2-8-16-27)32-25-21-24-22-31(30(24)23-25)33-35(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2/t24-,25-,30-,31+/m1/s1
InChIKeyAGGJIVJTNNJKSV-ISYCQBLMSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane with MolForge

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Related Compounds

(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
CID 20511064
[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
CID 11488268
[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane
CID 102574776
[(1S,2S)-2-tert-butylsulfanylcyclohexyl]oxy-diphenylphosphane
CID 16688539
2-ethyl-5-phenoxy-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 166981321
(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
CID 154874589
2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
phenoxy(diphenyl)phosphane
CID 11543680
(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol
CID 87601756
[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane
CID 100971064
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane?
The IUPAC name of [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane (CID 10909079) is [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane.
What is the SMILES notation for [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane?
The canonical SMILES for [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane is c1ccc(P(O[C@@H]2C[C@@H]3C[C@H](OP(c4ccccc4)c4ccccc4)[C@@H]3C2)c2ccccc2)cc1.
What is the InChIKey of [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane?
The InChIKey is AGGJIVJTNNJKSV-ISYCQBLMSA-N. The full InChI is InChI=1S/C31H30O2P2/c1-5-13-26(14-6-1)34(27-15-7-2-8-16-27)32-25-21-24-22-31(30(24)23-25)33-35(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2/t24-,25-,30-,31+/m1/s1.
What are the key properties of [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane?
[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane has a molecular weight of 496.53 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane is sourced from PubChem (CID 10909079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).