CAS: 60254-64-0
Name: N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILES:
CC1C(C(C(C(O1)OC(C(C=O)O)C(C(CO)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)O)O)O)OMolecular Processing
Molecular formula
C32H55NO25
Molecular weight
853.77
Exact mass
853.3063
XLogP
-10.91
TPSA
423.46
H-bond donors
16
H-bond acceptors
25
Rotatable bonds
17
Heavy atoms
58
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
24
Undefined stereo
24
Formal charge
0
Heteroatoms
26
Covalent units
1
Fraction Csp3
0.938
Molar refractivity
177.9
Supplementary Information
InChIKey: TVVLIFCVJJSLBL-UHFFFAOYSA-N
Synonyms
Lacto-N-fucopentaose V60254-64-0N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideHexNAc-Fuc-(Hex)3LNFPVLNFP-VSCHEMBL29361612TVVLIFCVJJSLBL-UHFFFAOYSA-N(Z)-N-[(2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5S,6RMFCD00214317MSK001238OL06817SY297725LNFP V; Lacto-N-fucopentaose V;60254-64-0;N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;HexNAc-Fuc-(Hex)3;LNFPVN-[2-[2-[1-(1,2-dihydroxyethyl)-3-hydroxy-4-oxo-2-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-butoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
Involved in 2 reactions→