ChemSpider 2D Image | (6S,20R,21S)-11-Chloro-20,21-dihydroxy-12-methoxy-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-methyl-N-propionyl-L -alaninate | C34H46ClN3O10

(6S,20R,21S)-11-Chloro-20,21-dihydroxy-12-methoxy-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-methyl-N-propionyl-L -alaninate

  • Molecular FormulaC34H46ClN3O10
  • Average mass692.196 Da
  • Monoisotopic mass691.287170 Da
  • ChemSpider ID8072019

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(6S,20R,21S)-11-Chlor-20,21-dihydroxy-12-methoxy-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-methyl-N-propionyl-L- alaninat [German] [ACD/IUPAC Name]
(6S,20R,21S)-11-Chloro-20,21-dihydroxy-12-methoxy-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-methyl-N-propionyl-L -alaninate [ACD/IUPAC Name]
L-Alanine, N-methyl-N-(1-oxopropyl)-, (6S,20R,21S)-11-chloro-20,21-dihydroxy-12-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16, 18-pentaen-6-yl ester [ACD/Index Name]
N-Méthyl-N-propionyl-L-alaninate de (6S,20R,21S)-11-chloro-20,21-dihydroxy-12-méthoxy-2,5,9,16-tétraméthyl-8,23-dioxo-4,24-dioxa-9,22-diazatétracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18 -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: 914.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 506.9±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.27
ACD/KOC (pH 5.5): 1129.86
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.04
ACD/KOC (pH 7.4): 1127.83
Polar Surface Area: 167 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 515.0±5.0 cm3

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