ChemSpider 2D Image | (1S,2R,3S,5S,6S,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl N-isobutyr yl-L-alaninate | C35H48ClN3O10

(1S,2R,3S,5S,6S,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl N-isobutyr yl-L-alaninate

  • Molecular FormulaC35H48ClN3O10
  • Average mass706.223 Da
  • Monoisotopic mass705.302795 Da
  • ChemSpider ID8993838

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,3S,5S,6S,20R,21S)-11-Chlor-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl-N-isobutyry ; l-L-alaninat [German] [ACD/IUPAC Name]
(1S,2R,3S,5S,6S,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl N-isobutyr yl-L-alaninate [ACD/IUPAC Name]
L-Alanine, N-(2-methyl-1-oxopropyl)-, (1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,1 2,14(26),16,18-pentaen-6-yl ester [ACD/Index Name]
N-Isobutyryl-L-alaninate de (1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-diméthoxy-2,5,9,16-tétraméthyl-8,23-dioxo-4,24-dioxa-9,22-diazatétracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,1 6,18-pentaén-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 927.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.8±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 181.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 291.74
ACD/KOC (pH 5.5): 2023.23
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 290.86
ACD/KOC (pH 7.4): 2017.16
Polar Surface Area: 165 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 541.6±5.0 cm3

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