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Name |
Distamycin A/5 |
EINECS | N/A |
CAS No. | 35967-49-8 | Density | 1.47g/cm3 |
PSA | 249.12000 | LogP | 4.20430 |
Solubility | N/A | Melting Point |
N/A |
Formula | C34H39 N13 O6 | Boiling Point | °Cat760mmHg |
Molecular Weight | 762.32 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
Safety | Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Distamycin5; Distamycin A5 |
Molecule structure of Distamycin A/5 (CAS NO.35967-49-8) :
IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
Molecular Weight: 725.75696 g/mol
Molecular Formula: C34H39N13O6
Density: 1.47 g/cm3
Index of Refraction: 1.714
Molar Refractivity: 192.62 cm3
Molar Volume: 490.6 cm3
Polarizability: 76.36*10-24 cm3
Surface Tension: 64.9 dyne/cm
XLogP3-AA: -2
H-Bond Donor: 8
H-Bond Acceptor: 8
Rotatable Bond Count: 13
Tautomer Count: 64
Exact Mass: 725.314626
MonoIsotopic Mass: 725.314626
Topological Polar Surface Area: 249
Heavy Atom Count: 53
Complexity: 1400
Canonical SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)
NC5=CN(C(=C5)C(=O)NCCC(=N)N)C)C)C)C)NC=O
InChI: InChI=1S/C34H39N13O6/c1-43-13-19(38-18-48)8-25(43)31(50)40-21-10-27(45(3)15-21)33(52)42-23-12-28(47(5)17-23)34(53)41-22-11-26(46(4)16-22)32(51)39-20-9-24(44(2)14-20)30(49)37-7-6-29(35)36/h8-18H,6-7H2,1-5H3,(H3,35,36)(H,37,49)(H,38,48)(H,39,51)(H,40,50)(H,41,53)(H,42,52)
InChIKey of Distamycin A/5 (CAS NO.35967-49-8) : MOVYQMBBJIUACM-UHFFFAOYSA-N
1. | dnd-esc 200 µmol | EJBCAI European Journal of Biochemistry. 26 (1972),81. | ||
2. | dnd-omi 200 µmol | EJBCAI European Journal of Biochemistry. 26 (1972),81. | ||
3. | dni-mus:lym 600 nmol/L | CBINA8 Chemico-Biological Interactions. 8 (1974),183. |
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
Distamycin A/5 (CAS NO.35967-49-8) is also called N,4':N',4'':N'',4''':N''',4''''-Penta(pyrrole-2-carboxamide), N''''-(2-amidinoethyl)-4-formamido-1,1',1'',1''',1''''-pentamethyl-, hydrochloride .
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