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Vancomycin EP Impurity A HCl Salt

CAT: 1596-AR-V06082-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06082-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
213997-73-0
Synonyms
Nor-Vancomycin Hydrochloride; N-Desmethyl Vancomycin Hydrochloride
Molecular Formula
C65H74Cl3N9O24
Molecular Weight
1471.69
API Name
Vancomycin

Chemical Information

Norvancomycin hydrochloride
CAS Number213997-73-0
PubChem CID92044444
IUPAC Name(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19-[[(2R)-2-amino-4-methylpentanoyl]amino]-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;hydrochloride
Molecular FormulaC65H74Cl3N9O24
Molecular Weight1471.7
Topological Polar Surface Area544
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count26
Rotatable Bond Count12
Heavy Atom Count101
Formal Charge0
Complexity2940
SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N)O)Cl)CO)O)O)(C)N)O.Cl
InChI
InChI=1S/C65H73Cl2N9O24.ClH/c1-22(2)11-33(68)57(87)75-48-50(82)25-6-9-37(31(66)13-25)96-39-15-27-16-40(54(39)100-64-55(53(85)52(84)41(21-77)98-64)99-43-20-65(4,70)56(86)23(3)95-43)97-38-10-7-26(14-32(38)67)51(83)49-62(92)74-47(63(93)94)30-17-28(78)18-36(80)44(30)29-12-24(5-8-35(29)79)45(59(89)76-49)73-60(90)46(27)72-58(88)34(19-42(69)81)71-61(48)91;/h5-10,12-18,22-23,33-34,41,43,45-53,55-56,64,77-80,82-86H,11,19-21,68,70H2,1-4H3,(H2,69,81)(H,71,91)(H,72,88)(H,73,90)(H,74,92)(H,75,87)(H,76,89)(H,93,94);1H/t23-,33+,34-,41+,43-,45+,46+,47-,48+,49-,50+,51+,52+,53-,55+,56+,64-,65-;/m0./s1
InChIKey
LLWFHCJFZGXUAT-UMXPSMRGSA-N
Chemical Structure
2D Structure
2D structure of Norvancomycin hydrochloride
CAS: 213997-73-0
CID: 92044444
Formula: C65H74Cl3N9O24
MW: 1471.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1471.7
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count26
Rotatable Bond Count12
Exact Mass1469.391227
Monoisotopic Mass1469.391227
Topological Polar Surface Area544 Ų
Heavy Atom Count101
Formal Charge0
Complexity2940
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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RM-V031330-01Vancomycin Impurity 30
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