[(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane

C24H42O2P2 — CID 147565402

IUPAC[(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane
SMILESCCCC(C)C1CCC2C3C[C@H](OP)[C@@H]4C[C@H](P=O)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C24H42O2P2/c1-5-6-15(2)18-7-8-19-17-14-22(26-27)21-13-16(28-25)9-11-24(21,4)20(17)10-12-23(18,19)3/h15-22H,5-14,27H2,1-4H3/t15?,16-,17?,18?,19?,20?,21+,22+,23-,24-/m1/s1
InChIKeyNUBKLBRJVDQYEK-BTSUCGAKSA-N
MW424.55 g/mol
LogP7.53
Rot. Bonds5

About [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane

[(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane (PubChem CID 147565402) has the molecular formula C24H42O2P2 and a molecular weight of 424.55 g/mol. Its IUPAC name is [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane.

Molecular Properties

Compound Name[(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane
PubChem CID147565402
Molecular FormulaC24H42O2P2
Molecular Weight424.55 g/mol
Exact Mass424.27
IUPAC Name[(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane
SMILESCCCC(C)C1CCC2C3C[C@H](OP)[C@@H]4C[C@H](P=O)CC[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C24H42O2P2/c1-5-6-15(2)18-7-8-19-17-14-22(26-27)21-13-16(28-25)9-11-24(21,4)20(17)10-12-23(18,19)3/h15-22H,5-14,27H2,1-4H3/t15?,16-,17?,18?,19?,20?,21+,22+,23-,24-/m1/s1
InChIKeyNUBKLBRJVDQYEK-BTSUCGAKSA-N
XLogP7.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane with MolForge

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Related Compounds

(8R,9S,10S,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 54333184
(3R,5R,8S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-3-phosphoroso-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 58320998
[(3S,5S,6S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy-trimethylsilane
CID 91751732
[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-6-formyloxy-10,13-dimethyl-17-[(2R)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
CID 102505985
(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 90719302
(3R,10S,13R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70998507
(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 151305024
methyl (4R)-4-[(3R,6S,10R,13R)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CID 6428124
methyl 4-[(3R,5R,6R)-10,13-dimethyl-3,6-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CID 6430339
(5S,10S,13R,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 59914835
[(3S,5S,6S,8R,9R,10R,13S,14R,17S)-6-acetyloxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 124914346
[(3S,5S,6R,8S,9S,10R,13R,14S,17R)-6-acetyloxy-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 99574650

Frequently Asked Questions

What is the IUPAC name of [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane?
The IUPAC name of [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane (CID 147565402) is [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane.
What is the SMILES notation for [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane?
The canonical SMILES for [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane is CCCC(C)C1CCC2C3C[C@H](OP)[C@@H]4C[C@H](P=O)CC[C@]4(C)C3CC[C@]12C.
What is the InChIKey of [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane?
The InChIKey is NUBKLBRJVDQYEK-BTSUCGAKSA-N. The full InChI is InChI=1S/C24H42O2P2/c1-5-6-15(2)18-7-8-19-17-14-22(26-27)21-13-16(28-25)9-11-24(21,4)20(17)10-12-23(18,19)3/h15-22H,5-14,27H2,1-4H3/t15?,16-,17?,18?,19?,20?,21+,22+,23-,24-/m1/s1.
What are the key properties of [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane?
[(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane has a molecular weight of 424.55 g/mol, XLogP of 7.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R,6S,10R,13R)-10,13-dimethyl-17-pentan-2-yl-3-phosphoroso-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxyphosphane is sourced from PubChem (CID 147565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).