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Oritavancin Diphosphate
Oritavancin Diphosphate / CAS : 192564-14-0
| Appearance | white to beige powder | UN | 0 |
| HS | 0 | DG Class | 0 |
| Synonyms | Orbactiv; LY333328 Diphosphate; Oritavancin Phosphate; Oritavancin (Diphosphate); Kimyrsa; Nuvocid; Oritavancin Bisphosphate; (4''R)-22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-N(3'')-((4'-Chloro(1,1'-Biphenyl)-4-yl)Methyl)Vancomycin Phosphate(1:2); (4''R)-22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-N(sup 3'')-((4'-Chloro(1,1'-Biphenyl)-4-yl)Methyl)Vancomycin Phosphate(1:2) (salt); (4'R)-22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-N(sup 3)'-((4'-Chloro(1,1'-Biphenyl)-4-yl)Methyl)Vancomycin Phosphate (1:2) (salt); (4'R)-22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabino-Hexopyranosyl)-N(sup 3)'-(p-(p-Chlorophenyl)Benzyl)Vancomycin Phosphate (1:2) (salt); (4R)-22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-Alpha-L-Arabinohexopyranosyl)-N3-(p-(p-Chlorophenyl)Benzyl)Vancomycin Diphosphate; Vancomycin, 22-O-(3-Amino-2,3,6-Trideoxy-3-C-Methyl-.Alpha.-L-Arabino-Hexopyranosyl)-N3''-((4'-Chloro(1,1'-Biphenyl)-4-YL)Methyl)-, (4''R)-, Phosphate (1:2) | ||
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RFQ
Properties
Summary
Formula
C86H103Cl3N10O34P2
Molecular Mass
1989.09000
Exact Mass
1986.52000
PSA
736.12000
Logp
6.85530
IUPAC
(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-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-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;phosphoric acid
SMILES
C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O.OP(=O)(O)O.OP(=O)(O)O
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Antibiotics
Chemical and Physical Properties
Melting Point
>229°C (dec.)
Appearance
white to beige powder
Export information
HS Code
0
UN No.
0
DG-Class
0
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