ChemSpider 2D Image | veldoreotide | C60H74N12O10

veldoreotide

  • Molecular FormulaC60H74N12O10
  • Average mass1123.304 Da
  • Monoisotopic mass1122.565063 Da
  • ChemSpider ID8095496

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1,4,7,10,13,16,19,24-Octaazacyclooctacosane-1-acetamide, 9-(4-aminobutyl)-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-3,18-bis(phenylmethyl)-, (3S,6S,9S,12R,15S ,18S)- [ACD/Index Name]
1Z83587HBN
2-[(3S,6S,9S,12R,15S,18S)-9-(4-Aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octaazacyclooctacosan-1-yl]acetamid [German] [ACD/IUPAC Name]
2-[(3S,6S,9S,12R,15S,18S)-9-(4-Aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octaazacyclooctacosan-1-yl]acetamide [ACD/IUPAC Name]
2-[(3S,6S,9S,12R,15S,18S)-9-(4-Aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyéthyl]-12,15-bis(1H-indol-3-ylméthyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octaazacyclooctacosan-1-yl]acétamide [French] [ACD/IUPAC Name]
252845-37-7 [RN]
COR-005
N4.1-(2-amino-2-oxoethyl)-cyclo(4-aminobutanoyl-4-aminobutanoyl-L-phenylalanyl-L-tryptophyl-D-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl)
UNII:1Z83587HBN
veldoreotida [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10521 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1527.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 247.6±3.0 kJ/mol
Flash Point: 877.8±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 307.3±0.3 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 121.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 915.8±3.0 cm3

Click to predict properties on the Chemicalize site


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