Cas no 128441-18-9 (Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-a-L-mannopyranosyl)- (9CI))
128441-18-9 structure
Product Name:Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-a-L-mannopyranosyl)- (9CI)
CAS No:128441-18-9
MF:C72H86ClN9O28
MW:1560.94975996017
CID:154685
PubChem ID:195570
Update Time:2025-04-19
Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-a-L-mannopyranosyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-a-L-mannopyranosyl)- (9CI)
- decaplanin
- Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-...
- Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-l
- 2-[(4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-22-(2-amino-2-oxoethyl)-15-chloro-48-({4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]tetrahydro-2H-pyran-2-yl}oxy)-18,32,35,37-tetrahydroxy-19-{[4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,3
- M86-1410
- GTPL10968
- Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-D-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-alpha-D-talopyranosyl)-
- MM-47761
- 126985-51-1
- M 861410
- MM 47761
- 128441-18-9
-
- Inchi： 1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)
- InChI Key： SJSZMXQSCZCGFO-UHFFFAOYSA-N
- SMILES： ClC1C=C2C=CC=1OC1=CC3C(C(NC4C5C=CC(=C(C=5)C5C(=CC(=CC=5C(C(=O)O)NC(C(C(C5C=CC(=CC=5)OC(C=3)=C1OC1C(C(C(C(CO)O1)O)O)OC1C(C(C(C(C)O1)O)O)O)OC1CC(C)(C(C(C)O1)O)N)NC4=O)=O)O)O)O)=O)NC(C(CC(N)=O)NC(C(C2O)NC(C(CC(C)C)NC)=O)=O)=O
Computed Properties
- Exact Mass: 1559.52738
- Monoisotopic Mass: 1559.5270808g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 21
- Hydrogen Bond Acceptor Count: 30
- Heavy Atom Count: 110
- Rotatable Bond Count: 15
- Complexity: 3230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 23
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.3
- Topological Polar Surface Area: 589?2
Experimental Properties
- PSA: 589.41
Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-a-L-mannopyranosyl)- (9CI) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
128441-18-9 (Vancomycin,22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-a-L-lyxo-hexopyranosyl)-19-dechloro-2'-O-(6-deoxy-a-L-mannopyranosyl)- (9CI)) Related Products
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