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Furbucillin sodium

CAT: 0931-T202753-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202753-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37760-01-3
Bioactivity
Furbucillin is an antimicrobial agent.
Smiles
[O-]C([C@@H]1N2[C@@](SC1(C)C)([H])[C@@H](C2=O)NC([C@@H](CC(C)C)OC(C3=CC=CO3)=O)=O)=O.[Na+]
Molecular Formula
C19H23N2NaO7S
Molecular Weight
446.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Furbucillin sodium
CAS Number37760-01-3
PubChem CID46835904
IUPAC Namesodium (2S,5R,6R)-6-[[(2R)-2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC19H23N2NaO7S
Molecular Weight446.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity717
SMILES
CC(C)C[C@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])OC(=O)C3=CC=CO3.[Na+]
InChI
InChI=1S/C19H24N2O7S.Na/c1-9(2)8-11(28-18(26)10-6-5-7-27-10)14(22)20-12-15(23)21-13(17(24)25)19(3,4)29-16(12)21;/h5-7,9,11-13,16H,8H2,1-4H3,(H,20,22)(H,24,25);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
InChIKey
BNMMHBZPTIHTCP-XFAPPKAWSA-M
Chemical Structure
2D Structure
2D structure of Furbucillin sodium
CAS: 37760-01-3
CID: 46835904
Formula: C19H23N2NaO7S
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass446.11236653
Monoisotopic Mass446.11236653
Topological Polar Surface Area154 Ų
Heavy Atom Count30
Formal Charge0
Complexity717
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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