CAS: 512-69-6
이름: (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
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)OMolecular Processing
Molecular formula
C18H32O16
Molecular weight
504.44
Exact mass
504.169
XLogP
-7.57
TPSA
268.68
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
1
Molar refractivity
101.27
Supplementary Information
InChIKey: MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
동의어
RAFFINOSEMelitose512-69-6D-RaffinoseGossyposeMelitriose6G-alpha-D-galactosylsucroseRaffinose, pureN5O3QU595MDTXSID8041111CHEBI:16634NSC-2025NSC-170228alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-(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(2S,3R,4S,5R,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl)oxy-3,4,5-tris(oxidanyl)oxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(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(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:9106GlyTouCan:G40178VUDTXCID6021111G40178VU208-146-9d-(+)-RaffinoseNSC 2025NSC 170228AI3-19427beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosideRaffinose hydratebeta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1-->6)-alpha-D-Glucopyranoside
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