Geometry & MOs

Info

ID:

15800

PubChem CID:

451446

Reduced:

PN6O19C59H109 (1)

Stoich.:

AB6C19D59E109 (1)

Weight, g/mol:

1236.748512

ΔHf, kcal/mol:

-1055.79

Dipole, Da:

12.88

IP(EA), eV:

 -9.89(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[2-[[(2S)-2-[[(4R)-4-[[(2R)-2-[[(2R)-2-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OC1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations