ChemSpider 2D Image | Surotomycin | C77H101N17O26

Surotomycin

  • Molecular FormulaC77H101N17O26
  • Average mass1680.724 Da
  • Monoisotopic mass1679.710327 Da
  • ChemSpider ID28527704
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres


More details:






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

1233389-51-9 [RN]
9616
L-α-Asparagine, N-[(2E)-1-oxo-3-(4-pentylphenyl)-2-buten-1-yl]-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carbox ymethyl)-6-[(1R)-2-carboxy-1-methylethyl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacont-30-yl]- [ACD/Index Name]
N-[(2E)-3-(4-Pentylphenyl)-2-butenoyl]-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxy-2 ;-propanyl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-α-asparagin [German] [ACD/IUPAC Name]
N-[(2E)-3-(4-Pentylphenyl)-2-butenoyl]-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxy-2 ;-propanyl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-α-asparagine [ACD/IUPAC Name]
N-[(2E)-3-(4-Pentylphényl)-2-butenoyl]-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophényl)-2-oxoéthyl]-24-(3-aminopropyl)-15,21-bis(carboxyméthyl)-6-[(2R)-1-carboxy-2 ;-propanyl]-9-(hydroxyméthyl)-18,31-diméthyl-2,5,8,11,14,17,20,23,26,29-décaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohéntriacontan-30-yl]-L-α-asparagine [French] [ACD/IUPAC Name]
ON0N776N05
Surotomycin [Wiki]
UNII-ON0N776N05

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 2102.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 372.7±3.0 kJ/mol
Flash Point: 1225.3±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 419.0±0.4 cm3
#H bond acceptors: 43
#H bond donors: 25
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -9.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 702 Å2
Polarizability: 166.1±0.5 10-24cm3
Surface Tension: 86.6±5.0 dyne/cm
Molar Volume: 1144.6±5.0 cm3

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