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17629-30-0

17629-30-0 | α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-, hydrate (1:5)

CAS No: 17629-30-0 Catalog No: AG0024K6 MDL No:MFCD00071590

Product Description

Catalog Number:
AG0024K6
Chemical Name:
α-D-Glucopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1→6)-, hydrate (1:5)
CAS Number:
17629-30-0
Molecular Formula:
C18H42O21
Molecular Weight:
594.5135
MDL Number:
MFCD00071590
IUPAC Name:
(3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-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
InChI:
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
InChI Key:
BITMAWRCWSHCRW-XRZHKTLCSA-N
SMILES:
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)OC1O[C@H](COC2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O.O.O.O.O.O
EC Number:
605-771-2

Properties

Complexity:
655  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6  
Defined Atom Stereocenter Count:
12  
Defined Bond Stereocenter Count:
0
Exact Mass:
594.222g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
21  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
594.513g/mol
Monoisotopic Mass:
594.222g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
274A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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