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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H42N2O4P2
Molecular Weight 700.7414
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of TOL-P-PHOS, (S)-

SMILES

COC1=CC(P(C2=CC=C(C)C=C2)C3=CC=C(C)C=C3)=C(C(OC)=N1)C4=C(C=C(OC)N=C4OC)P(C5=CC=C(C)C=C5)C6=CC=C(C)C=C6

InChI

InChIKey=KGSLDIHGFIICRS-UHFFFAOYSA-N
InChI=1S/C42H42N2O4P2/c1-27-9-17-31(18-10-27)49(32-19-11-28(2)12-20-32)35-25-37(45-5)43-41(47-7)39(35)40-36(26-38(46-6)44-42(40)48-8)50(33-21-13-29(3)14-22-33)34-23-15-30(4)16-24-34/h9-26H,1-8H3

HIDE SMILES / InChI

Molecular Formula C42H42N2O4P2
Molecular Weight 700.7414
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2479MZJ3JC
Record Status Validated (UNII)
Record Version