ChemSpider 2D Image | 6-{[(Cyclopentyloxy)carbonyl]amino}-2-({2-[2-(isopropylammonio)-1,3-thiazol-4-yl]-7-methoxy-4-quinoliniumyl}oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2- a][1,4]diazacyclopentadecin-15-ium-14a(5H)-carboxylate | C40H52N6O8S

6-{[(Cyclopentyloxy)carbonyl]amino}-2-({2-[2-(isopropylammonio)-1,3-thiazol-4-yl]-7-methoxy-4-quinoliniumyl}oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2- a][1,4]diazacyclopentadecin-15-ium-14a(5H)-carboxylate

  • Molecular FormulaC40H52N6O8S
  • Average mass776.940 Da
  • Monoisotopic mass776.355652 Da
  • ChemSpider ID21239726

  • Charge - Charge

More details:

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

6-{[(Cyclopentyloxy)carbonyl]amino}-2-({2-[2-(isopropylammonio)-1,3-thiazol-4-yl]-7-methoxy-4-chinoliniumyl}oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2- a][1,4]diazacyclopentadecin-15-ium-14a(5H)-carboxylat [German] [ACD/IUPAC Name]
6-{[(Cyclopentyloxy)carbonyl]amino}-2-({2-[2-(isopropylammonio)-1,3-thiazol-4-yl]-7-méthoxy-4-quinoléiniumyl}oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tétradécahydrocyclopropa[e]pyrrolo[1,2 -a][1,4]diazacyclopentadécin-15-ium-14a(5H)-carboxylate [French] [ACD/IUPAC Name]
6-{[(Cyclopentyloxy)carbonyl]amino}-2-({2-[2-(isopropylammonio)-1,3-thiazol-4-yl]-7-methoxy-4-quinoliniumyl}oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2- a][1,4]diazacyclopentadecin-15-ium-14a(5H)-carboxylate [ACD/IUPAC Name]
Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid, 6-[[(cyclopentyloxy)hydroxymethylene]amino]-2-[[2-[2,3-dihydro-2-[(1-methylethyl)imino]-4-thiazolyl]-7-methoxy-4-quinolin yl]oxy]-1,2,3,6,7,8,9,10,11,13a,14,16a-dodecahydro-16-hydroxy-5-oxo-, inner salt, conjugate diacid [ACD/Index Name]

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

Density:
Boiling Point: 972.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.4±3.0 kJ/mol
Flash Point: 541.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 4.90
ACD/KOC (pH 5.5): 20.92
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 220 Å2
Polarizability:
Surface Tension:
Molar Volume:

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