ChemSpider 2D Image | Etelcalcetide | C38H73N21O10S2

Etelcalcetide

  • Molecular FormulaC38H73N21O10S2
  • Average mass1048.251 Da
  • Monoisotopic mass1047.529053 Da
  • ChemSpider ID32697932
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(6R,9R,12R,15R,18R,21R,24S,29R)-24-Acetamido-1,29-diamino-12,15,18-tris(3-carbamimidamidopropyl)-6-carbamoyl-1-imino-9,21-dimethyl-8,11,14,17,20,23-hexaoxo-26,27-dithia-2,7,10,13,16,19,22-heptaazatria contan-30-oic acid [ACD/IUPAC Name]
(6R,9R,12R,15R,18R,21R,24S,29R)-24-Acetamido-1,29-diamino-12,15,18-tris(3-carbamimidamidopropyl)-6-carbamoyl-1-imino-9,21-dimethyl-8,11,14,17,20,23-hexaoxo-26,27-dithia-2,7,10,13,16,19,22-heptaazatria contan-30-säure [German] [ACD/IUPAC Name]
9809
Acide (6R,9R,12R,15R,18R,21R,24S,29R)-24-acétamido-1,29-diamino-12,15,18-tris(3-carbamimidamidopropyl)-6-carbamoyl-1-imino-9,21-diméthyl-8,11,14,17,20,23-hexaoxo-26,27-dithia-2,7,10,13,16,19,22-heptaa zatriacontan-30-oïque [French] [ACD/IUPAC Name]
etelcalcetida [Spanish] [INN]
Etelcalcetide [INN] [USAN]
ételcalcétide [French] [INN]
etelcalcetidum [Latin] [INN]
KAI-4169
N-acetyl-D-cysteinyl-D-alanyl-D-arginyl-D-arginyl-D-arginyl-D-alanyl-D-argininamide disulfide with L-cysteine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

60ME133FJB [DBID]
UNII-60ME133FJB [DBID]
UNII:60ME133FJB [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 254.0±0.5 cm3
#H bond acceptors: 31
#H bond donors: 28
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: -5.89
ACD/LogD (pH 5.5): -13.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 608 Å2
Polarizability: 100.7±0.5 10-24cm3
Surface Tension: 75.4±7.0 dyne/cm
Molar Volume: 659.7±7.0 cm3

Click to predict properties on the Chemicalize site





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