[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane

C34H38O6P2 — CID 102574776

IUPAC[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane
SMILESCO[C@@H]1[C@@H](OC)[C@@H](OC)[C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OC
InChIInChI=1S/C34H38O6P2/c1-35-29-30(36-2)32(38-4)34(40-42(27-21-13-7-14-22-27)28-23-15-8-16-24-28)33(31(29)37-3)39-41(25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-34H,1-4H3/t29-,30-,31-,32-,33+,34+/m1/s1
InChIKeyZBNXRUORZDCCHF-FCJVTMLMSA-N
MW604.62 g/mol
LogP4.93
Rot. Bonds12

About [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane

[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane (PubChem CID 102574776) has the molecular formula C34H38O6P2 and a molecular weight of 604.62 g/mol. Its IUPAC name is [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane
PubChem CID102574776
Molecular FormulaC34H38O6P2
Molecular Weight604.62 g/mol
Exact Mass604.21
IUPAC Name[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane
SMILESCO[C@@H]1[C@@H](OC)[C@@H](OC)[C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OC
InChIInChI=1S/C34H38O6P2/c1-35-29-30(36-2)32(38-4)34(40-42(27-21-13-7-14-22-27)28-23-15-8-16-24-28)33(31(29)37-3)39-41(25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-34H,1-4H3/t29-,30-,31-,32-,33+,34+/m1/s1
InChIKeyZBNXRUORZDCCHF-FCJVTMLMSA-N
XLogP4.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
CID 11488268
(3-diphenylphosphanyloxycyclohexyl)oxy-diphenylphosphane
CID 20511064
(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol
CID 87601756
[(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane
CID 10769739
[(1S,2S)-2-tert-butylsulfanylcyclohexyl]oxy-diphenylphosphane
CID 16688539
[(1R,3R,5R,6S)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane
CID 10909079
methoxy-(2-methylphenyl)-phenylphosphane
CID 151818468
bis(2-methoxycyclohexyl)-phenylphosphane
CID 91365042
2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
phenoxy(diphenyl)phosphane
CID 11543680
[(2R,3R,4R,5R,6S)-5-benzoyloxy-3,4-bis[bis(4-fluorophenyl)phosphanyloxy]-6-methoxyoxan-2-yl]methyl benzoate
CID 10748094
(1S,8R,9S,10S)-10-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 101064560

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane?
The IUPAC name of [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane (CID 102574776) is [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane.
What is the SMILES notation for [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane?
The canonical SMILES for [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane is CO[C@@H]1[C@@H](OC)[C@@H](OC)[C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OC.
What is the InChIKey of [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane?
The InChIKey is ZBNXRUORZDCCHF-FCJVTMLMSA-N. The full InChI is InChI=1S/C34H38O6P2/c1-35-29-30(36-2)32(38-4)34(40-42(27-21-13-7-14-22-27)28-23-15-8-16-24-28)33(31(29)37-3)39-41(25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-34H,1-4H3/t29-,30-,31-,32-,33+,34+/m1/s1.
What are the key properties of [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane?
[(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane has a molecular weight of 604.62 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4R,5R,6R)-2-diphenylphosphanyloxy-3,4,5,6-tetramethoxycyclohexyl]oxy-diphenylphosphane is sourced from PubChem (CID 102574776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).