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Martinomycin

CAT: 0862-GL7951-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GL7951-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160791-16-2
Molecular Formula
C49H84O17
Molecular Weight
945.2
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Martinomycin

Martinomycin is a C-glycosyl compound.

CAS Number160791-16-2
PubChem CID9832886
IUPAC Name(2R)-2-[(2S,3S,4S,5S,6S)-2-hydroxy-6-[[(2R,3R,4R,5S,6R,7R,9S)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyloxan-2-yl]propanoic acid
Molecular FormulaC49H84O17
Molecular Weight945.2
XLogP5
Topological Polar Surface Area198
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Heavy Atom Count66
Formal Charge0
Complexity1660
SMILES
C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1O[C@H]2CC[C@@H]([C@H](O2)C)OC)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H]([C@@]6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@@H](C)C(=O)O)O)C)OC)(C)OC)OC)C)C)OC)C
InChI
InChI=1S/C49H84O17/c1-24-40(62-39-21-19-32(54-11)30(7)59-39)26(3)47(10,52)65-41(24)35-17-16-33(60-35)34-18-20-37(61-34)46(9)43(57-14)28(5)49(66-46)25(2)36(55-12)22-31(63-49)23-38-45(8,58-15)42(56-13)27(4)48(53,64-38)29(6)44(50)51/h24-43,52-53H,16-23H2,1-15H3,(H,50,51)/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,45-,46+,47-,48-,49-/m0/s1
InChIKey
VIAPPZHHJMCDEJ-JXBMCXTESA-N
Chemical Structure
2D Structure
2D structure of Martinomycin
CAS: 160791-16-2
CID: 9832886
Formula: C49H84O17
MW: 945.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight945.2
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Exact Mass944.57085121
Monoisotopic Mass944.57085121
Topological Polar Surface Area198 Ų
Heavy Atom Count66
Formal Charge0
Complexity1660
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

Alternative Products

CatalogName
TN11194-01Martinomycin

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