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Novobiocin Sodium

CAT: 1299-RM-N220200-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N220200-01Size:10 mg
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CAS Number
1476-53-5
Synonyms
4-Hydroxy-3-[4-hydroxy-3- (3-methylbut-2-enyl) benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-α-L-lyxofuranoside sodium salt
Molecular Formula
C31H35N2NaO11
Molecular Weight
634.61
Target Alternative Name
Novobiocin
Product Name Synonym
4-Hydroxy-3-[4-hydroxy-3- (3-methylbut-2-enyl) benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-α-L-lyxofuranoside sodium salt

Chemical Information

Novobiocin Sodium

Novobiocin sodium is an organic molecular entity.

CAS Number1476-53-5
PubChem CID23663939
IUPAC Namesodium 7-[(2R,3R,4S,5R)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate
Molecular FormulaC31H35N2NaO11
Molecular Weight634.6
Topological Polar Surface Area199
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity1160
SMILES
CC1=C(C=CC2=C1OC(=O)C(=C2[O-])NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O.[Na+]
InChI
InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1
InChIKey
WWPRGAYLRGSOSU-RNROJPEYSA-M
Chemical Structure
2D Structure
2D structure of Novobiocin Sodium
CAS: 1476-53-5
CID: 23663939
Formula: C31H35N2NaO11
MW: 634.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass634.21385422
Monoisotopic Mass634.21385422
Topological Polar Surface Area199 Ų
Heavy Atom Count45
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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B1992-5.1Novobiocin Sodium
HY-B0425A-01Novobiocin (sodium)
TRC-N888500-10GNovobiocin Sodium Salt
N064-5GNovobiocin Sodium, Granulized
BML-A256-0005Novobiocin . sodium salt

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