ChemSpider 2D Image | Nalpha-Acetyl-N-[3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphonophenylalaninamide | C30H41N3O10P2

Nα-Acetyl-N-[3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphonophenylalaninamide

  • Molecular FormulaC30H41N3O10P2
  • Average mass665.608 Da
  • Monoisotopic mass665.226746 Da
  • ChemSpider ID2123

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Nα-Acetyl-N-[3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphonophenylalaninamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-[3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphonophenylalaninamide [ACD/IUPAC Name]
Nα-Acétyl-N-[3-carbamoyl-2-(cyclohexylméthoxy)-6,7,8,9-tétrahydro-5H-benzo[7]annulén-5-yl]-3,4-diphosphonophénylalaninamide [French] [ACD/IUPAC Name]
Phosphonic acid, [4-[2-(acetylamino)-3-[[3-(aminocarbonyl)-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl]amino]-3-oxopropyl]-1,2-phenylene]bis- [ACD/Index Name]
{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
268741-43-1 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AP-22408 [DBID]
3U3L5QR4KV [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 459.0±5.0 cm3

Click to predict properties on the Chemicalize site






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