Geometry & MOs

Info

ID:

183008

PubChem CID:

76968572

Reduced:

OC13H23 (8)

Stoich.:

AB13C23 (8)

Weight, g/mol:

1296.422587

ΔHf, kcal/mol:

-648.18

Dipole, Da:

1.97

IP(EA), eV:

 -9.38(0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis[(2R)-2,3-dihydroxypropoxy]-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-bis[(2S)-2,3-dihydroxypropoxy]-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2R)-2,3-dihydroxypropoxy]-4-[(2S)-2,3-dihydroxypropoxy]-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2S)-2,3-dihydroxypropoxy]-4-[(2R)-2,3-dihydroxypropoxy]-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C.CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](CC=C1C)C(=C)C.CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C.CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C

DOS

IR

Vibrations