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Pyrromycin

CAT: 0931-T68903-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68903-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
668-17-7
Target
Antibacterial, Antibiotic, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Pyrromycin is a monosaccharide anthracycline which can be used to inhibit cellular RNA synthesis.
Smiles
O([C@@H]1C2=C([C@@H](C(OC)=O)[C@](CC)(O)C1)C=C3C(=C2O)C(=O)C=4C(C3=O)=C(O)C=CC4O)[C@H]5C[C@H](N(C)C)[C@H](O)[C@H](C)O5
Molecular Formula
C30H35NO11
Molecular Weight
585.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyrromycin

Pyrromycin is an anthracycline.

CAS Number668-17-7
PubChem CID196990
IUPAC Namemethyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Molecular FormulaC30H35NO11
Molecular Weight585.6
XLogP3.3
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O
InChI
InChI=1S/C30H35NO11/c1-6-30(39)11-18(42-19-10-15(31(3)4)25(34)12(2)41-19)20-13(24(30)29(38)40-5)9-14-21(27(20)36)28(37)23-17(33)8-7-16(32)22(23)26(14)35/h7-9,12,15,18-19,24-25,32-34,36,39H,6,10-11H2,1-5H3/t12-,15-,18-,19-,24-,25+,30+/m0/s1
InChIKey
ZJBMQVPEJHVSQA-OCYVVMCSSA-N
Chemical Structure
2D Structure
2D structure of Pyrromycin
CAS: 668-17-7
CID: 196990
Formula: C30H35NO11
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP33.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass585.22101093
Monoisotopic Mass585.22101093
Topological Polar Surface Area183 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19211039-01Pyrromycin

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