Cas no 157758-70-8 (Octyl 2-O-mepman-man)
Octyl 2-O-mepman-man structure
Product Name:Octyl 2-O-mepman-man
CAS No:157758-70-8
MF:C21H40NaO14P
MW:570.497440338135
CID:205830
Update Time:2023-08-02
Octyl 2-O-mepman-man Chemical and Physical Properties
Names and Identifiers
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- a-D-Mannopyranoside, octyl2-O-[6-O-(hydroxymethoxyphosphinyl)-a-D-mannopyranosyl]-, monosodium salt (9CI)
- a-D-Mannopyranoside, octyl2-O-[6-O-(hydroxymethoxyphosphinyl)-a-D-mannopyranosyl]-, monosodium...
- Octyl 2-O-(mannopyranosyl-6-methylphosphate)mannopyranoside
- Octyl 2-O-mepman-man
- sodium octyl 2-O-[6-O-(methoxyphosphinato)-alpha-D-mannopyranosyl]-alpha-D-mannopyranoside
- Sodium octyl 2-O-[6-O-(methoxyphosphinato)hexopyranosyl]hexopyranoside
-
- Inchi： 1S/C21H41O14P.Na/c1-3-4-5-6-7-8-9-31-21-19(17(26)14(23)12(10-22)33-21)35-20-18(27)16(25)15(24)13(34-20)11-32-36(28,29)30-2;/h12-27H,3-11H2,1-2H3,(H,28,29);/q;+1/p-1/t12-,13-,14-,15-,16+,17+,18+,19+,20-,21+;/m1./s1
- InChI Key： NQOYAAQQYQKLBD-KJLZIREBSA-M
- SMILES： P(=O)([O-])(OC)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]1[C@@H](OCCCCCCCC)O[C@H](CO)[C@H]([C@@H]1O)O)O)O)O.[Na+]
Computed Properties
- Exact Mass: 570.205
- Monoisotopic Mass: 570.205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 37
- Rotatable Bond Count: 15
- Complexity: 677
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 217
Experimental Properties
- Density: g/cm3
- Boiling Point: 734°Cat760mmHg
- Flash Point: 397.7°C
Octyl 2-O-mepman-man Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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