Geometry & MOs

Info

ID:

376250

PubChem CID:

134222260

Reduced:

PN2O22C87H163 (1)

Stoich.:

AB2C22D87E163 (1)

Weight, g/mol:

1182.679095

ΔHf, kcal/mol:

-1372.15

Dipole, Da:

2.32

IP(EA), eV:

 -10.06(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S)-6-[[(4R)-3,6-dihydroxy-5-[[(3R)-3-hydroxypentanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxyoxan-2-yl]methoxy]-2-(hydroxymethyl)-5-[[(3R)-3-propanoyloxypentanoyl]amino]-4-[(3R)-3-propanoyloxytetradecanoyl]oxyoxan-3-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(C)C(=O)O[C@@H](CC(=O)NC1[C@H](C(C(OC1OCC2C([C@@H](C(C(O2)O)NC(=O)C[C@@H](CC)O)OC(=O)C[C@@H](C(C)CCCCCCCCC)O)O)CO)OP(=O)(O)O)OC(=O)C[C@@H](C(C)CCCCCCCCC)OC(=O)C(C)CCCCCCCCCCC)C(C)CCCCCCCCC

DOS

IR

Vibrations