[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane

C33H34O3P2 — CID 101138992

IUPAC[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane
SMILESC[C@@H]([C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34O3P2/c1-24(37(25-16-8-4-9-17-25)26-18-10-5-11-19-26)29-31(30-32(34-29)36-33(2,3)35-30)38(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24,29-32H,1-3H3/t24-,29-,30-,31+,32-/m0/s1
InChIKeyWKCVGTYNMPPOAI-DQFJKFGGSA-N
MW540.58 g/mol
LogP5.89
Rot. Bonds7

About [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane

[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane (PubChem CID 101138992) has the molecular formula C33H34O3P2 and a molecular weight of 540.58 g/mol. Its IUPAC name is [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane
PubChem CID101138992
Molecular FormulaC33H34O3P2
Molecular Weight540.58 g/mol
Exact Mass540.20
IUPAC Name[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane
SMILESC[C@@H]([C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34O3P2/c1-24(37(25-16-8-4-9-17-25)26-18-10-5-11-19-26)29-31(30-32(34-29)36-33(2,3)35-30)38(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24,29-32H,1-3H3/t24-,29-,30-,31+,32-/m0/s1
InChIKeyWKCVGTYNMPPOAI-DQFJKFGGSA-N
XLogP5.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane with MolForge

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Related Compounds

(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
1-[10-(1-diphenylphosphanylethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]ethyl-diphenylphosphane
CID 23403298
(3aR,5R,6S,6aR)-5-[(1R)-1-aminoethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11063515
2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-hydroxyacetonitrile
CID 75032875
(2S)-2-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyacetonitrile
CID 143348073
(2S)-2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-5-benzoyloxyhexanoic acid
CID 135550712
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 54097873
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol
CID 175402820
(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonitrile
CID 11608796
[(5R,6R)-5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate
CID 22831834

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane?
The IUPAC name of [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane (CID 101138992) is [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane.
What is the SMILES notation for [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane?
The canonical SMILES for [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane is C[C@@H]([C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane?
The InChIKey is WKCVGTYNMPPOAI-DQFJKFGGSA-N. The full InChI is InChI=1S/C33H34O3P2/c1-24(37(25-16-8-4-9-17-25)26-18-10-5-11-19-26)29-31(30-32(34-29)36-33(2,3)35-30)38(27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24,29-32H,1-3H3/t24-,29-,30-,31+,32-/m0/s1.
What are the key properties of [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane?
[(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane has a molecular weight of 540.58 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(3aS,5S,6S,6aR)-6-diphenylphosphanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl]-diphenylphosphane is sourced from PubChem (CID 101138992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).