P-[2-[3-[[(1-Benzoyl-4-piperidinyl)methylamino]carbonyl]-2-naphthalenyl]-1-(1...
C36H33N2O6P
429676-93-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  45 50 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.3901 6.6685 0.0 0
M  V30 2 C 6.9302 6.6685 0.0 0
M  V30 3 P 4.6201 5.3348 0.0 0 VAL=5
M  V30 4 O 7.7002 8.0022 0.0 0
M  V30 5 O 3.8501 4.0010 0.0 0
M  V30 6 O 3.2864 6.1048 0.0 0
M  V30 7 O 5.9538 4.5648 0.0 0
M  V30 8 C 10.0102 6.6685 0.0 0
M  V30 9 N 11.5503 6.6685 0.0 0
M  V30 10 O 9.2402 8.0022 0.0 0
M  V30 11 C 12.3203 5.3348 0.0 0
M  V30 12 C 14.6303 12.0033 0.0 0
M  V30 13 O 13.8603 13.3370 0.0 0
M  V30 14 C 4.6201 8.0022 0.0 0
M  V30 15 C 3.0801 8.0022 0.0 0
M  V30 16 C 5.3901 9.3360 0.0 0
M  V30 17 C 2.3101 9.3360 0.0 0
M  V30 18 C 2.3101 6.6685 0.0 0
M  V30 19 C 4.6201 10.6697 0.0 0
M  V30 20 C 3.0801 10.6697 0.0 0
M  V30 21 C 0.7700 9.3360 0.0 0
M  V30 22 C 0.7700 6.6685 0.0 0
M  V30 23 C 0.0000 8.0022 0.0 0
M  V30 24 C 7.7002 5.3348 0.0 0
M  V30 25 C 9.2402 5.3348 0.0 0
M  V30 26 C 6.9302 4.0010 0.0 0
M  V30 27 C 10.0102 4.0010 0.0 0
M  V30 28 C 7.7002 2.6673 0.0 0
M  V30 29 C 9.2402 2.6673 0.0 0
M  V30 30 C 6.9302 1.3337 0.0 0
M  V30 31 C 10.0102 1.3337 0.0 0
M  V30 32 C 7.7002 0.0000 0.0 0
M  V30 33 C 9.2402 0.0000 0.0 0
M  V30 34 C 12.3203 8.0022 0.0 0
M  V30 35 C 11.5503 9.3360 0.0 0
M  V30 36 C 13.8603 8.0022 0.0 0
M  V30 37 C 12.3203 10.6697 0.0 0
M  V30 38 C 14.6303 9.3360 0.0 0
M  V30 39 N 13.8603 10.6697 0.0 0
M  V30 40 C 16.1704 12.0033 0.0 0
M  V30 41 C 16.9404 13.3370 0.0 0
M  V30 42 C 16.9404 10.6697 0.0 0
M  V30 43 C 18.4804 13.3370 0.0 0
M  V30 44 C 18.4804 10.6697 0.0 0
M  V30 45 C 19.2504 12.0033 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 14
M  V30 4 2 2 4
M  V30 5 1 2 24
M  V30 6 2 3 5
M  V30 7 1 3 6
M  V30 8 1 3 7
M  V30 9 1 8 9
M  V30 10 2 8 10
M  V30 11 1 8 25
M  V30 12 1 9 11
M  V30 13 1 9 34
M  V30 14 2 12 13
M  V30 15 1 12 39
M  V30 16 1 12 40
M  V30 17 1 14 15
M  V30 18 2 14 16
M  V30 19 2 15 17
M  V30 20 1 15 18
M  V30 21 1 16 19
M  V30 22 1 17 20
M  V30 23 1 17 21
M  V30 24 2 18 22
M  V30 25 2 19 20
M  V30 26 2 21 23
M  V30 27 1 22 23
M  V30 28 1 24 25
M  V30 29 2 24 26
M  V30 30 2 25 27
M  V30 31 1 26 28
M  V30 32 1 27 29
M  V30 33 2 28 29
M  V30 34 1 28 30
M  V30 35 1 29 31
M  V30 36 2 30 32
M  V30 37 2 31 33
M  V30 38 1 32 33
M  V30 39 1 34 35
M  V30 40 1 34 36
M  V30 41 1 35 37
M  V30 42 1 36 38
M  V30 43 1 37 39
M  V30 44 1 38 39
M  V30 45 2 40 41
M  V30 46 1 40 42
M  V30 47 1 41 43
M  V30 48 2 42 44
M  V30 49 2 43 45
M  V30 50 1 44 45
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
429676-93-7

> <cas.index.name>
Phosphonic acid, P-[2-[3-[[(1-benzoyl-4-piperidinyl)methylamino]carbonyl]-2-naphthalenyl]-1-(1-naphthalenyl)-2-oxoethyl]-

> <molecular.formula>
C36H33N2O6P

> <molecular.weight>
620.63

> <boiling.point.predicted>
912.0±75.0 °C    Press: 760 Torr

> <density.predicted>
1.40±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
1.51±0.10    Most Acidic Temp: 25 °C

$$$$
