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ChemSpider 2D Image | 2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylene)amino]butyl}carbamoyl)-2,4'-bi-1,3-thiazol -2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihy droxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4 | C55H84N20O21S2

2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylene)amino]butyl}carbamoyl)-2,4'-bi-1,3-thiazol -2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihy droxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4

  • Molecular FormulaC55H84N20O21S2
  • Average mass1425.507 Da
  • Monoisotopic mass1424.556152 Da
  • ChemSpider ID2318

More details:

Date of deprecation: 18:08, Nov 7, 2014
Reason for deprecation: Deprecate record: more than 12 undefined stereocentres

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylen)amino]butyl}carbamoyl)-2,4'-bi-1,3-thiazol- 2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihyd roxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4- [German] [ACD/IUPAC Name]
2-({2-[2-{[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({4-[(diaminomethylene)amino]butyl}carbamoyl)-2,4'-bi-1,3-thiazol -2'-yl]ethyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-methyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihy droxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4 [ACD/IUPAC Name]
Carbamate de 2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-méthyl-4-pyrimidinyl)carbonyl]amino}-3-[(5-{[1-({2-[4-({4-[(diaminométhylène)amino]butyl}carbamoyl)-2,4'-b i-1,3-thiazol-2'-yl]éthyl}amino)-3-hydroxy-1-oxo-2-butanyl]amino}-3-hydroxy-4-méthyl-5-oxo-2-pentanyl)amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl} oxy)-3,5-dihydroxy-6-(hydroxyméthyl)tétrahyd [French] [ACD/IUPAC Name]
9060-10-0 [RN]
Bleomycin B(sub 2)
Bleomycin B2
Bleomycinamide, N(sup 1)-(4-((aminoiminomethyl)amino)butyl)-
Dehydrophleomycin D1
N1-(4-((Aminoiminomethyl)amino)butyl)bleomycinamide
Phleomycin D2

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

BRN 0973538 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 329.3±0.5 cm3
#H bond acceptors: 41
#H bond donors: 29
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: -2.55
ACD/LogD (pH 5.5): -8.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 748 Å2
Polarizability: 130.5±0.5 10-24cm3
Surface Tension: 85.3±7.0 dyne/cm
Molar Volume: 793.5±7.0 cm3

Click to predict properties on the Chemicalize site


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