ChemSpider 2D Image | LFF-571 | C60H63N13O13S6

LFF-571

  • Molecular FormulaC60H63N13O13S6
  • Average mass1366.611 Da
  • Monoisotopic mass1365.299194 Da
  • ChemSpider ID28518090

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1160959-55-6 [RN]
Acide trans-4-{[(4-carboxybutyl){2-[(18S,25S,35S)-35-[(S)-hydroxy(phényl)méthyl]-25-isopropyl-28-(méthoxyméthyl)-21-méthyl-18-[2-(méthylamino)-2-oxoéthyl]-16,23,30,33-tétraoxo-3,13,20,27,37-pentathia- ;7,17,24,31,34,39,40,41,42,43-décaazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritétraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridécaén-8-yl]-1,3-thiazol-4-yl ;}carbamoyl]oxy}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
LFF-571
trans-4-{[(4-Carboxybutyl){2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-25-isopropyl-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,2 ;4,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carba
 moyl]oxy}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-{[(4-Carboxybutyl){2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-25-isopropyl-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,2 ;4,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carba
 moyl]oxy}cyclohexanecarboxylic acid [ACD/IUPAC Name]
4-[4-carboxybutyl-[2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]carbamoyl]oxycyclohexane-1-carboxylic acid
LFF 571

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

W7AUL2R95Z [DBID]
UNII:W7AUL2R95Z [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 343.6±0.4 cm3
#H bond acceptors: 26
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 28.20
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 539 Å2
Polarizability: 136.2±0.5 10-24cm3
Surface Tension: 99.4±5.0 dyne/cm
Molar Volume: 871.2±5.0 cm3

Click to predict properties on the Chemicalize site


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