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Fostriecin

CAT: 0024-sc-202160Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-202160Size:50 µg
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CAS Number
87860-39-7

Chemical Information

Fostriecin Sodium

See also: Fostriecin (has active moiety).

CAS Number87860-39-7
PubChem CID16759606
IUPAC Namesodium [(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]trideca-1,7,9,11-tetraen-4-yl] hydrogen phosphate
Molecular FormulaC19H26NaO9P
Molecular Weight452.4
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity732
SMILES
C[C@@](/C=C/[C@H]1CC=CC(=O)O1)([C@@H](C[C@H](/C=C\C=C/C=C/CO)O)OP(=O)(O)[O-])O.[Na+]
InChI
InChI=1S/C19H27O9P.Na/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20;/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26);/q;+1/p-1/b3-2-,6-4+,8-5-,12-11+;/t15-,16+,17+,19+;/m0./s1
InChIKey
XBUIKNRVGYFSHL-IAVQPKKASA-M
Chemical Structure
2D Structure
2D structure of Fostriecin Sodium
CAS: 87860-39-7
CID: 16759606
Formula: C19H26NaO9P
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass452.12121368
Monoisotopic Mass452.12121368
Topological Polar Surface Area157 Ų
Heavy Atom Count30
Formal Charge0
Complexity732
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106702AFostriecin
B1241-10Fostriecin sodium
HY-106702Fostriecin (sodium)
CR006-010Fostriecin sodium salt
MBS5811019Fostriecin (free base)
MBS651262-01Phosphotrienin (Fostriecin, Antibiotic CI 920, Antibiotic CL 1565A, Antibiotic PD 110161, NSC 339638)
P4075-25Phosphotrienin (Fostriecin, Antibiotic CI 920, Antibiotic CL 1565A, Antibiotic PD 110161, NSC 339638), Sodium Salt

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