CAS: 17629-30-0
名称: Raffinose pentahydrate
IUPAC: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
SMILES:
O.O.O.O.O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1OCanonical SMILES:
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O分子式: C18H42O21
分子量: 594.50
InChIKey: BITMAWRCWSHCRW-PFQJHCPISA-N
InChI:
PubChem CID: 2724100 →InChI=1S/C18H32O16.5H2O/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18;;;;;/h5-17,19-29H,1-4H2;5*1H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+;;;;;/m1...../s1同義語
17629-30-0Raffinose, pentahydrate(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrateDTXSID201035270(2S,3R,4S,5R,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrateRefChem:875102DTXCID201519694605-771-2raffinose pentahydrateD-(+)-Raffinose pentahydrateD(+)-Raffinose pentahydrateMFCD00071590D-Raffinose PentahydrateD(+)-Raffinose (pentahydrate)C18H42O21Raffnose PentahydrateSCHEMBL230600orb1303430orb3139502MSK3232W5CHEBI:189430GLXC-13105HY-N1938s9349AKOS040757682CCG-270172CS-W020021T3S0309SY009502D-(+)-Raffinose pentahydrate, >=98.0%
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