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Search term: 8031048 (Found by CSID)
ChemSpider 2D Image | Himastatin | C72H104N14O20

Himastatin

  • Molecular FormulaC72H104N14O20
  • Average mass1485.678 Da
  • Monoisotopic mass1484.755127 Da
  • ChemSpider ID8031048

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-Tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-diisobutyl-21,21',24,24'-tetraisopropyl-2,2',3,3',4 ,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo [2,3-b]indol-5,5',8,8',11,11',19,19',22,22', [German] [ACD/IUPAC Name]
(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-Tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-diisobutyl-21,21',24,24'-tetraisopropyl-2,2',3,3',4 ,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo [2,3-b]indole-5,5',8,8',11,11',19,19',22,22' [ACD/IUPAC Name]
(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-Tétrahydroxy-10,10'-bis[(1S)-1-hydroxyéthyl]-7,7'-diisobutyl-21,21',24,24'-tétraisopropyl-2,2',3,3',4 ,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadécino[7',6':1,5]pyrrolo [2,3-b]indole-5,5',8,8',11,11',19,19',22,22' [French] [ACD/IUPAC Name]
[16,16'-Bi-13H-pyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone, 2,2',3,3',4,4',4a, 4'a,6,6',7,7',9,9',10,10',12a,12'a,17b,17'b,18,18',18a,18'a,20,20',21,21'-octacosahydro-3,3',17b,17'b-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-21,21',24,24'-tetrakis(1-methylethyl)-7,7'-bis(2-meth ylpropyl)-, (3R,3'R,4aR,4a'R,7S,7'S,10R,10'R [ACD/Index Name]
Himastatin
126775-74-4 [RN]
antibiotic BMY 40800
BMY 40800
BMY40800
BMY-40800
  • Miscellaneous

    • Chemical Class:

      A dimeric cyclohexadepsipeptide with formula C72H104N14O20. It is an antibiotic isolated from Streptomyces hygroscopicus and exhibits antitumor and antibacterial activity. ChEBI CHEBI:190009

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 378.6±0.4 cm3
#H bond acceptors: 34
#H bond donors: 16
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -7.47
ACD/LogD (pH 5.5): -6.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 478 Å2
Polarizability: 150.1±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 1028.3±5.0 cm3

Click to predict properties on the Chemicalize site


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