ChemSpider 2D Image | Somatostatin | C76H104N18O19S2

Somatostatin

  • Molecular FormulaC76H104N18O19S2
  • Average mass1637.878 Da
  • Monoisotopic mass1636.716675 Da
  • ChemSpider ID16736969

  • defined stereocentres - 13 of 15 defined stereocentres

More details:

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

254-186-5 [EINECS]
256-969-7 [EINECS]
38916-34-6 [RN]
Glycinamide, L-alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-4-carboxy-10-[(1S)-1-hydroxyethyl]-16-(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H -indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-13,25,28-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacont-37-yl]- [ACD/Index Name]
L-Alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine Cyclic (3®14) Disulfide
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10-[(1S)-1-hydroxyethyl]-16-(1-hydroxyethyl)-7-(hydroxymethyl)- 22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamid [German] [ACD/IUPAC Name]
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10-[(1S)-1-hydroxyethyl]-16-(1-hydroxyethyl)-7-(hydroxymethyl)- 22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamide [ACD/IUPAC Name]
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoéthyl)-13,25,28-tribenzyl-4-carboxy-10-[(1S)-1-hydroxyéthyl]-16-(1-hydroxyéthyl)-7-(hydroxyméthyl)- 22-(1H-indol-3-ylméthyl)-6,9,12,15,18,21,24,27,30,33,36-undécaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undécaazacyclooctatriacontan-37-yl]glycinamide [French] [ACD/IUPAC Name]
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10-[(1S)-1-hydroxyethyl]-16-(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamide
Somatostatin [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 3629 [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: 1970.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 342.0±3.0 kJ/mol
Flash Point: 1145.7±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 427.4±0.4 cm3
#H bond acceptors: 37
#H bond donors: 26
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -9.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 664 Å2
Polarizability: 169.4±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 1144.2±5.0 cm3

Click to predict properties on the Chemicalize site


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