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Chromomycin A3

CAT: 0543-C152-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-C152-5MGSize:5 mg
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CAS Number
7059-24-7
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C57H82O26
Molecular Weight
1183.3
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Chromomycin A3

Chromomycin A3 is a chromomycin.

CAS Number7059-24-7
PubChem CID656673
IUPAC Name[(2R,3S,4R,6S)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
Molecular FormulaC57H82O26
Molecular Weight1183.2
XLogP2.3
Topological Polar Surface Area359
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count26
Rotatable Bond Count20
Heavy Atom Count83
Formal Charge0
Complexity2190
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@H]([C@@H](O8)C)OC(=O)C)(C)O)O
InChI
InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23-,24-,25-,26-,27+,32+,33-,35-,36-,37-,38-,39+,40+,41+,42+,46+,47-,48-,52+,53+,54+,55+,56+,57+/m1/s1
InChIKey
ZYVSOIYQKUDENJ-WKSBCEQHSA-N
Chemical Structure
2D Structure
2D structure of Chromomycin A3
CAS: 7059-24-7
CID: 656673
Formula: C57H82O26
MW: 1183.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1183.2
XLogP32.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count26
Rotatable Bond Count20
Exact Mass1182.50943272
Monoisotopic Mass1182.50943272
Topological Polar Surface Area359 Ų
Heavy Atom Count83
Formal Charge0
Complexity2190
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BIC1009-01Chromomycin A3
GTR19277987-01Chromomycin A4
574254Chromomycin A2
HY-W040129RChromomycin A3 (Standard)
CR004-010Chromomycin A3 Streptomyces Griseus
FC41668-01Chromomycin A3 from streptomyces griseus
269497-01Chromomycin A3 discontinued. See C5180
TBI2064-5MGChromomycin A3, DNA probe (GC-rich) ; Apoptosis inhibitor

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