ChemSpider 2D Image | cis-N-[(5S,7S,10S,17R,20R)-10-Benzyl-17-isobutyl-20-methyl-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexaazatetracyclo[19.2.1.1~11,14~.0~3,7~]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-4-hydr oxycyclohexanecarboxamide | C36H45N7O8

cis-N-[(5S,7S,10S,17R,20R)-10-Benzyl-17-isobutyl-20-methyl-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexaazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-4-hydr oxycyclohexanecarboxamide

  • Molecular FormulaC36H45N7O8
  • Average mass703.785 Da
  • Monoisotopic mass703.332947 Da
  • ChemSpider ID97094641

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

cis-N-[(5S,7S,10S,17R,20R)-10-Benzyl-17-isobutyl-20-methyl-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexaazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-4-hydr
 oxycyclohexancarboxamid [German] [ACD/IUPAC Name]
cis-N-[(5S,7S,10S,17R,20R)-10-Benzyl-17-isobutyl-20-methyl-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexaazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-4-hydr
 oxycyclohexanecarboxamide [ACD/IUPAC Name]
cis-N-[(5S,7S,10S,17R,20R)-10-Benzyl-17-isobutyl-20-méthyl-2,8,15,18-tétraoxo-12,22-dioxa-3,9,16,19,24,25-hexaazatétracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tétraén-5-yl]-4-hydr
 oxycyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-[(3S,10R,13R,21S,22aS)-2,3,8,9,10,11,12,13,20,21,22,22a-dodecahydro-13-methyl-10-(2-methylpropyl)-1,8,11,18-tetraoxo-3-(phenylmethyl)-7,4:17,14-dinitrilo-1H,18H-pyrrolo[2,1-f ][1,11,4,7,14,17]dioxatetraazacycloeicosin-21-yl]-4-hydroxy-, cis- [ACD/Index Name]
cis-N-[(5S,7S,10S,17R,20R)-10-benzyl-17-isobutyl-20-methyl-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexaazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-4-hydroxycyclohexanecarboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1068.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.0±3.0 kJ/mol
Flash Point: 599.8±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 182.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -3.36
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.39
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.39
Polar Surface Area: 209 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 512.9±5.0 cm3

Click to predict properties on the Chemicalize site


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