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Hainanmycin Sodium

CAT: 0543-H064-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0543-H064-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58331-17-2
Applications
Microbiology.
Purity
> 900 units/mg
Molecular Formula
C47H79O15Na
Molecular Weight
907.12
Shipping Conditions
Ambient
Storage Conditions
≤30°C

Chemical Information

Narasin sodium salt
CAS Number58331-17-2
PubChem CID101653400
IUPAC Namesodium (2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoate
Molecular FormulaC43H71NaO11
Molecular Weight787.0
Topological Polar Surface Area164
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count55
Formal Charge0
Complexity1360
SMILES
CC[C@H]([C@H]1[C@H](C[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C)C(=O)[O-].[Na+]
InChI
InChI=1S/C43H72O11.Na/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33;/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48);/q;+1/p-1/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-;/m0./s1
InChIKey
NBRZEFXQRCTYMC-DAALJYCPSA-M
Chemical Structure
2D Structure
2D structure of Narasin sodium salt
CAS: 58331-17-2
CID: 101653400
Formula: C43H71NaO11
MW: 787.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass786.48940736
Monoisotopic Mass786.48940736
Topological Polar Surface Area164 Ų
Heavy Atom Count55
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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