C(C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)O)O)O
CAS: 14087-31-1
이름: (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal
SMILES: C(C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)O)O)O

Molecular Processing

Molecular formula
C11H20O10
Molecular weight
312.27
Exact mass
312.1056
XLogP
-4.92
TPSA
177.14
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
63.8

Supplementary Information

InChIKey: BYZQBCIYLALLPA-NOPGXMAYSA-N
동의어
Gaxilose14087-31-1gaxilosaA571S2B3JE4-O-GalactopyranosylxyloseDTXSID60161484D-Xylose, 4-O-beta-D-galactopyranosyl-(2R,3R,4R)-2,3,5-trihydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)pentanal(2R,3R,4R)-2,3,5-TRIHYDROXY-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PENTANALRefChem:142746DTXCID40839754-O-GalactosylxylosegaxilosumGaxilose [INN](2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal4-o-beta-D-galactopyranosyl-D-xylose(2R,3R,4R)-2,3,5-TRIHYDROXY-4-(((2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)PENTANALUNII-A571S2B3JEGAXILOSE [WHO-DD]GAXILOSE, (+)-orb1697113SCHEMBL3959453CHEMBL4297512BYZQBCIYLALLPA-NOPGXMAYSA-NCHEBI:197228EBC-26740AKOS040751899DB12767HY-116007CS-0063443
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