Geometry & MOs

Info

ID:

375745

PubChem CID:

134221735

Reduced:

O5C37H38 (1)

Stoich.:

A5B37C38 (1)

Weight, g/mol:

823.264011

ΔHf, kcal/mol:

-104.23

Dipole, Da:

0.81

IP(EA), eV:

 -8.86(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4-[5-aminopentoxy(hydroxy)phosphoryl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]oxy-2,3,4-trihydroxypentyl] [2-(hydroxymethyl)-4-methoxy-5-(2,3,4,5-tetrahydroxypentoxy)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(CO)C(C(COCC2=CC3=CC=CC=C3C=C2)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations