ChemSpider 2D Image | (4R,7R,8R,9Z,14E,16E,18S,20R)-18,20-Dihydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione | C26H37N3O7

(4R,7R,8R,9Z,14E,16E,18S,20R)-18,20-Dihydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione

  • Molecular FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID4945299
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(4R,7R,8R,9Z,14E,16E,18S,20R)-18,20-Dihydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaen-2,5,11-trion [German] [ACD/IUPAC Name]
(4R,7R,8R,9Z,14E,16E,18S,20R)-18,20-Dihydroxy-7-isopropyl-4,8,16-trimethyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione [ACD/IUPAC Name]
(4R,7R,8R,9Z,14E,16E,18S,20R)-18,20-Dihydroxy-7-isopropyl-4,8,16-triméthyl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaène-2,5,11-trione [French] [ACD/IUPAC Name]
6,23-Dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-9,14,16,22(25),24-pentaene-2,5,11-trione, 18,20-dihydroxy-4,8,16-trimethyl-7-(1-methylethyl)-, (4R,7R,8R,9Z,14E,16E,18S,20R)- [ACD/Index Name]
58717-24-1 [RN]
A2315A
A-2315A
Antibiotic A 2315
Antibiotic A 2315A
Madumicin II
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A-2315 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 817.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.2±34.3 °C
Index of Refraction: 1.495
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.38
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.38
Polar Surface Area: 151 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 452.6±3.0 cm3

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