ChemSpider 2D Image | (R)-[(2R,6S,13aR,14aS,16aS)-2-({8-Chloro-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-6-{[(cyclopentyloxy)carbonyl]amino}-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4] diazacyclopentadecin-14a(5H)-yl](2,6-difluorobenzyl)phosphinic acid | C46H56ClF2N6O8PS

(R)-[(2R,6S,13aR,14aS,16aS)-2-({8-Chloro-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-6-{[(cyclopentyloxy)carbonyl]amino}-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4] diazacyclopentadecin-14a(5H)-yl](2,6-difluorobenzyl)phosphinic acid

  • Molecular FormulaC46H56ClF2N6O8PS
  • Average mass957.461 Da
  • Monoisotopic mass956.327454 Da
  • ChemSpider ID28497303

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(R)-[(2R,6S,13aR,14aS,16aS)-2-({8-Chlor-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-methoxy-4-chinolinyl}oxy)-6-{[(cyclopentyloxy)carbonyl]amino}-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]d iazacyclopentadecin-14a(5H)-yl](2,6-difluorbenzyl)phosphinsäure [German] [ACD/IUPAC Name]
(R)-[(2R,6S,13aR,14aS,16aS)-2-({8-Chloro-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-6-{[(cyclopentyloxy)carbonyl]amino}-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4] diazacyclopentadecin-14a(5H)-yl](2,6-difluorobenzyl)phosphinic acid [ACD/IUPAC Name]
1001094-46-7 [RN]
Acide (R)-[(2R,6S,13aR,14aS,16aS)-2-({8-chloro-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-méthoxy-4-quinoléinyl}oxy)-6-{[(cyclopentyloxy)carbonyl]amino}-5,16-dioxohexadécahydrocyclopropa[e]pyrrolo[1,2- a][1,4]diazacyclopentadécin-14a(5H)-yl](2,6-difluorobenzyl)phosphinique [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2R,6S,13aR,14aS,16aS)-2-[[8-chloro-7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-14a-[(R)-[(1R)-(2,6-difluorophenyl)methyl]hydroxyphosphinyl]octadecahydro-5,1 6-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, cyclopentyl ester [ACD/Index Name]
[(1S,4S,6R,14S,18R)-18-[8-Chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-4-yl]-[(2,6-difluorophenyl)methyl]phosphinic acid
GS 9256
GS-9256

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

8V42Y78HRU [DBID]
UNII:8V42Y78HRU [DBID]
UNII-8V42Y78HRU [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 242.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 53.27
ACD/KOC (pH 5.5): 99.76
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 9.78
ACD/KOC (pH 7.4): 18.32
Polar Surface Area: 219 Å2
Polarizability: 96.2±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 675.2±5.0 cm3

Click to predict properties on the Chemicalize site


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