Cas no 145265-22-1 (a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI))
145265-22-1 structure
Product Name:a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI)
CAS No:145265-22-1
MF:C18H32O16
MW:504.437088012695
CID:224142
PubChem ID:197522
Update Time:2025-04-19
a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3)]- (9CI)
- (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- alpha-D-Galactopyranose, O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-galactopyranosyl-(1-3))-
- alpha-Kolomiktriose
- beta-D-galactopyranosyl beta-D-galactopyranosyl-(1->2)-alpha-D-galactopyranoside
- 145265-22-1
- DTXSID20162957
- a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI)
-
- Inchi: 1S/C18H32O16/c19-1-4-7(22)10(25)13(28)16(30-4)33-15-12(27)9(24)6(3-21)32-18(15)34-17-14(29)11(26)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-/m1/s1
- InChI Key: ZZQBFMYCMRVZFG-NJYLIVSUSA-N
- SMILES: O([C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H](O[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O)O)O)O[C@H](CO)[C@@H]([C@@H]1O)O
Computed Properties
- Exact Mass: 504.169
- Monoisotopic Mass: 504.169
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 34
- Rotatable Bond Count: 7
- Complexity: 641
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 15
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.8
- Topological Polar Surface Area: 269?2
Experimental Properties
- Density: 1.8
- Boiling Point: 871.3°Cat760mmHg
- Flash Point: 480.8°C
- Refractive Index: 1.673
a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI) Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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