Geometry & MOs

Info

ID:

308177

PubChem CID:

125317224

Reduced:

O21C34H62 (1)

Stoich.:

A21B34C62 (1)

Weight, g/mol:

806.378359

ΔHf, kcal/mol:

-988.77

Dipole, Da:

2.98

IP(EA), eV:

 -10.46(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,5S,6R)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3S,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-6-decoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations