Cas no 2520-21-0 (D-erythro-a-D-galacto-Octopyranoside,2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-)
2520-21-0 structure
Product Name:D-erythro-a-D-galacto-Octopyranoside,2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
CAS No:2520-21-0
MF:C24H36N2O9S
MW:528.615646362305
CID:261960
PubChem ID:220087
Update Time:2025-04-19
D-erythro-a-D-galacto-Octopyranoside,2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- Chemical and Physical Properties
Names and Identifiers
-
- D-erythro-a-D-galacto-Octopyranoside,2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
- D-erythro-a-D-galacto-Octopyranoside,2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]c
- 2-[(2-Hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-
- D-erythro-D-galacto-Octopyranoside, 2-hydroxyethyl 6,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), .alpha.-
- D-erythro-D-galacto-Octopyranoside,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), .alpha.-
- D-erythro-.alpha.-D-galacto-Octopyranoside,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-
- NSC-9147
- U-5524
- SCHEMBL3674069
- D-erythro-.alpha.-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-
- 2-[(6,8-Dideoxy-7-O-methyl-6-([(1-methyl-2-pyrrolidinyl)carbonyl]amino)octopyranosyl)thio]ethyl salicylate #
- 2-[3, 4, 5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
- WLN: T6OTJ BS2OVR BQ& CQ DQ EQ FYY1&O1&MV- BT5NTJ A1
- Celesticetin
- 2520-21-0
- A-D-galacto-octopyranoside
- NSC9147
- 2-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
- VMSQKUCYEMOKMM-UHFFFAOYSA-N
-
- Inchi: 1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)
- InChI Key: VMSQKUCYEMOKMM-UHFFFAOYSA-N
- SMILES: S(CCOC(C1C=CC=CC=1O)=O)C1C(C(C(C(C(C(C)OC)NC(C2CCCN2C)=O)O1)O)O)O
Computed Properties
- Exact Mass: 528.214
- Monoisotopic Mass: 528.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 36
- Rotatable Bond Count: 11
- Complexity: 732
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 183A^2
- XLogP3: 1.4
Experimental Properties
- Density: 1.39
- Boiling Point: 748.7°Cat760mmHg
- Flash Point: 406.6°C
- Refractive Index: 1.618
- PSA: 183.32000
- LogP: 0.03250
- Specific Rotation: D24 +126.6° (c = 0.5 in chloroform)
D-erythro-a-D-galacto-Octopyranoside,2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- Related Literature
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S. Kadlcik,Z. Kamenik,D. Vasek,M. Nedved,J. Janata Chem. Sci. 2017 8 3349
-
J. Janata,Z. Kamenik,R. Gazak,S. Kadlcik,L. Najmanova Nat. Prod. Rep. 2018 35 257
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Zdenek Kamenik,Stanislav Kadlcik,Bojana Radojevic,Petra Jiraskova,Marek Kuzma,Radek Gazak,Lucie Najmanova,Jan Kopecky,Jiri Janata Chem. Sci. 2016 7 430
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Yi-Ling Du,Katherine S. Ryan Nat. Prod. Rep. 2019 36 430
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Chia-I. Lin,Reid M. McCarty,Hung-wen Liu Chem. Soc. Rev. 2013 42 4377
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