Products for Research Use Only
RegisterLogin

Atramycin A

CAT: 0926-MFA10948-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MFA10948-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
137109-48-9
Smiles
C1=CC (=CC (=C1) Br) CN2C=CC (=N2) [N+] (=O) [O-]
Molecular Formula
C25H24O9
Molecular Weight
468.50 g/mol
Controlled
No

Chemical Information

Atramycin A

Atramycin A has been reported in Streptomyces atratus with data available.

CAS Number137109-48-9
PubChem CID132029
IUPAC Name(3S)-6-hydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Molecular FormulaC25H24O9
Molecular Weight468.5
XLogP1.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity844
SMILES
C[C@H]1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O
InChI
InChI=1S/C25H24O9/c1-9-6-11-8-14(27)18-19(16(11)13(26)7-9)21(29)12-4-3-5-15(17(12)22(18)30)34-25-24(32)23(31)20(28)10(2)33-25/h3-5,8-10,20,23-25,27-28,31-32H,6-7H2,1-2H3/t9-,10-,20-,23+,24+,25-/m0/s1
InChIKey
WEVSDLAMOJTGBF-JIOQQOEXSA-N
Chemical Structure
2D Structure
2D structure of Atramycin A
CAS: 137109-48-9
CID: 132029
Formula: C25H24O9
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass468.14203234
Monoisotopic Mass468.14203234
Topological Polar Surface Area151 Ų
Heavy Atom Count34
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W747994Atramycin A
BIBR1139Atramycin B

Popular Products