Molecular Formula: 662.4
Formula Weight: C22H28N6O14P2
Inchl Key: KPVQNXLUPNWQHM-RBEMOOQDSA-N
Inchl: InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	GHS07
CAS:	86-08-8
Flash_Point:	N/A
Product_Name:	3-acetylpyridine adenine dinucleotide
Bolling_Point:	N/A
FW:	662.43700
Melting_Point:	N/A
MF:	C22H28N6O14P2
Density:	N/A

MF:	C22H28N6O14P2
Exact_Mass:	662.11400
FW:	662.43700
PSA:	314.69000
More_Info:	['一物性数据 ', '1 . Appearance 不确定。 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定。']
Computational_Chemistry:	['1 . XlogP -52 ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 18 ', '4 . Rotatable Bond Count 11 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 295 ', '7 . Heavy Atom Count 44 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1120 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 8 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']

Symbol:	GHS07
Risk_Statements(EU):	36/37/38
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xi: Irritant;
Warning_Statement:	P261-P305 + P351 + P338
Safety_Statements:	H315-H319-H335