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Laidlomycin propionate potassium

CAT: 0013-GTR19193982Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193982Size:25 mg
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Description
Laidlomycin propionate potassium
CAS Number
84799-02-0
Smiles
CCC (OCC1 (OC (C (CC1C) C) C2CC (C (C3 (CCC (C4 (CCC5 (O4) CC (C (C (C (C (C (C ([O-]) =O) C) OC (CC) =O) C) O5) C) O) C) O3) C) O2) C) O) =O.[K+]
Molecular Formula
C40H65KO13
Molecular Weight
793.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Laidlomycin Propionate Potassium

See also: Laidlomycin (has active moiety) ... View More ...

CAS Number84799-02-0
PubChem CID23674236
IUPAC Namepotassium (2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-3,5-dimethyl-6-(propanoyloxymethyl)oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoate
Molecular FormulaC40H65KO13
Molecular Weight793.0
Topological Polar Surface Area179
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count54
Formal Charge0
Complexity1330
SMILES
CCC(=O)OC[C@]1([C@@H](C[C@@H]([C@H](O1)[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC(=O)CC)C)O)C)C)C)C)C)O.[K+]
InChI
InChI=1S/C40H66O13.K/c1-11-30(42)47-20-40(46)23(5)17-21(3)32(52-40)28-18-22(4)35(48-28)38(10)14-13-29(50-38)37(9)15-16-39(53-37)19-27(41)24(6)34(51-39)25(7)33(26(8)36(44)45)49-31(43)12-2;/h21-29,32-35,41,46H,11-20H2,1-10H3,(H,44,45);/q;+1/p-1/t21-,22-,23+,24+,25-,26-,27-,28+,29+,32-,33+,34-,35+,37-,38-,39+,40-;/m0./s1
InChIKey
OXNOQXLCECXEBU-QGMAIPBJSA-M
Chemical Structure
2D Structure
2D structure of Laidlomycin Propionate Potassium
CAS: 84799-02-0
CID: 23674236
Formula: C40H65KO13
MW: 793.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass792.40622361
Monoisotopic Mass792.40622361
Topological Polar Surface Area179 Ų
Heavy Atom Count54
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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