carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)

C23H39MoO2 — CID 155752477

About carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)

carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+) (PubChem CID 155752477) has the molecular formula C23H39MoO2 and a molecular weight of 443.50 g/mol. Its IUPAC name is carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+).

Molecular Properties

• Compound Name: carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)
• PubChem CID: 155752477
• Molecular Formula: C23H39MoO2
• Molecular Weight: 443.50 g/mol
• Exact Mass: 445.20
• IUPAC Name: carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)
• SMILES: C[C@]12CCC(CO)CC1CC[C@@H]1C2CC[C@@]2(C)C1CC[C@@H]2[C-]=O.[CH3-].[CH3-].[Mo+3]
• InChI: InChI=1S/C21H33O2.2CH3.Mo/c1-20-9-7-14(12-22)11-15(20)3-5-17-18-6-4-16(13-23)21(18,2)10-8-19(17)20;;;/h14-19,22H,3-12H2,1-2H3;2*1H3;/q3*-1;+3/t14?,15?,16-,17+,18?,19?,20+,21-;;;/m1.../s1
• InChIKey: JSHDRINJTJOWFO-VEYJINSUSA-N
• XLogP: 5.26
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)?

The IUPAC name of carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+) (CID 155752477) is carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+).

What is the SMILES notation for carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)?

The canonical SMILES for carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+) is C[C@]12CCC(CO)CC1CC[C@@H]1C2CC[C@@]2(C)C1CC[C@@H]2[C-]=O.[CH3-].[CH3-].[Mo+3].

What is the InChIKey of carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)?

The InChIKey is JSHDRINJTJOWFO-VEYJINSUSA-N. The full InChI is InChI=1S/C21H33O2.2CH3.Mo/c1-20-9-7-14(12-22)11-15(20)3-5-17-18-6-4-16(13-23)21(18,2)10-8-19(17)20;;;/h14-19,22H,3-12H2,1-2H3;2*1H3;/q3*-1;+3/t14?,15?,16-,17+,18?,19?,20+,21-;;;/m1.../s1.

What are the key properties of carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+)?

carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+) has a molecular weight of 443.50 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[(8R,10S,13S,17S)-3-(hydroxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]methanone;molybdenum(3+) is sourced from PubChem (CID 155752477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).