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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H87F2N3O19P2
Molecular Weight 1110.1574
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEO-6002

SMILES

CCCCCCOC[C@H](COP(=O)(OC)OCC(COP(=O)(OC)OC[C@@H](COCCCCCC)OCCCCCC)OC(=O)CCC(=O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OCCCCCC

InChI

InChIKey=NAGLRHAQPJXXHA-CCMBWLCGSA-N
InChI=1S/C48H87F2N3O19P2/c1-7-11-15-19-27-62-31-38(64-29-21-17-13-9-3)33-67-73(58,60-5)69-35-40(36-70-74(59,61-6)68-34-39(65-30-22-18-14-10-4)32-63-28-20-16-12-8-2)71-44(55)24-23-43(54)66-37-41-45(56)48(49,50)46(72-41)53-26-25-42(51)52-47(53)57/h25-26,38-41,45-46,56H,7-24,27-37H2,1-6H3,(H2,51,52,57)/t38-,39-,40?,41-,45-,46-,73?,74?/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H87F2N3O19P2
Molecular Weight 1110.1574
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
B2HED3W84W
Record Status Validated (UNII)
Record Version