Cas no 160791-16-2 (Martinomycin)

Martinomycin structure

Product Name:Martinomycin

CAS No:160791-16-2

MF:C₄₉H₈₄O₁₇

MW:945.194g/mol

CID:150488

PubChem ID:9832886

Update Time:2024-11-05

Martinomycin Chemical and Physical Properties

Names and Identifiers

- 2H-Pyran-2-acetic acid,6-[[(2R,3R,4R,5S,7S,9R,10R)-3,9-dimethoxy-2,4,10-trimethyl-2-[(2S,2'R,5R,5'R)-octahydro-5'-[(2S,3S,4S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-4-[[(2R,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]methyl]tetrahydro-2-hydroxy-4,5-dimethoxy-a,3,5-trimethyl-, (aR,2S,3S,4S,5S,6S)- (9CI)
- 2H-Pyran-2-acetic acid,6-[[3,9-dimethoxy-2,4,10-trimethyl-2-[octahydro-5'-[tetrahydro-6-hydroxy-3,5,6-trimethyl-4-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy]-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]methyl]tetrahydro-2-hydroxy-4,5-dimethoxy-a,3,5-trimethyl-, [2S-[2a,2(S*),3a,4b,5a,6b[2S*[2R*,2'S*,5S*,5'S*[2R*,3R*,4R*(2S*,5R*,6S*),5S*,6R*]],3S*,4S*,5R*,7R*,9S*,10S*]]]-
- AntibioticK 41, 2-deoxy-2-methyl-
- LL-
- CID 131676372
- martinomycin
- 2H-Pyran-2-acetic acid, 6-[[(2R,3R,4R,5S,7S,9R,10R)-3,9-dimethoxy-2,4,10-trimethyl-2-[(2S,2'R,5R,5'R)-octahydro-5'-[(2S,3S,4S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-4-[[(2R,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]met...
- LL-D 37187alpha, Martinomycin
- (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
- LL-D 37187alpha;Martinomycin
- CHEBI:200632
- 160791-16-2
- LL-D 37187alpha
- (2R)-2-((2S,3S,4S,5S,6S)-2-Hydroxy-6-(((2R,3R,4R,5S,7S,9R,10R)-2-((2S,2'r,5R,5'r)-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)-(2,2'-bioxolane)-5-yl)-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro(4.5)decan-7-yl)methyl)-4,5-dimethoxy-3,5-dimethyloxan-2-yl)propanoate
- HY-125388
- CS-0091063
- (2R)-2-[(2S,3S,4S,5S,6S)-2-Hydroxy-6-{[(2R,3R,4R,5S,7S,9R,10R)-2-[(2S,2'r,5R,5'r)-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]-[2,2'-bioxolane]-5-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-4,5-dimethoxy-3,5-dimethyloxan-2-yl]propanoate
- (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
- Martinomycin
- 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
- InChI Key： VIAPPZHHJMCDEJ-XTKBMRNQSA-N
- SMILES： O1[C@](C)([C@H]2CC[C@@H]([C@H]3CC[C@H]([C@@H]4[C@@H](C)[C@@H]([C@@H](C)[C@@](C)(O)O4)O[C@H]4CC[C@@H](C(C)O4)OC)O3)O2)[C@@H]([C@@H](C)[C@@]21[C@H](C)[C@@H](C[C@@H](C[C@H]1[C@@](C)([C@H]([C@H](C)[C@](C(C(=O)O)C)(O)O1)OC)OC)O2)OC)OC

Computed Properties

Exact Mass: 944.571
Monoisotopic Mass: 944.571
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 17
Heavy Atom Count: 66
Rotatable Bond Count: 14
Complexity: 1660
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 25
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 198
XLogP3: 4.166

Experimental Properties

Density: 1.22±0.1 g/cm3(Predicted)
Boiling Point: 896.4±65.0 °C(Predicted)
Solubility: DMSO: soluble; Ethanol: soluble; Methanol: soluble
pka: 4.39±0.10(Predicted)

Martinomycin Security Information

Storage Condition：Store at -20°C

Martinomycin Pricemore >>

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