Molecular Formula: 510.5
Formula Weight: C20H22N4O10S
Inchl Key: KEJCWVGMRLCZQQ-YJBYXUATSA-N
Inchl: InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/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

Molecular_Structure:	['1 . Molar refractive index 11751 ', '2 . Molar volume 3163 ', '3 . Parachor （902K）8941 ', '4 . Surface tension 638 ', '5 . Polarizability 4658']
LogP:	0.85
Refractive_Index:	1.665
FW:	510.474
Density:	1.6±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :14 ', '6. TPSA 214 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :968 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	214.36000
Exact_Mass:	510.105652
More_Info:	['1. Appearance White to 淡Yellow 的粉末，略有异臭，味苦。 ', '2溶解度易Soluble in 二氧六烷，较易Soluble in 甲醇，微Soluble in Ethanol ，极微Soluble in Ethyl ether ，几Insoluble in Water 。 ', '3. Specific rotation[α]D+84°(C=087，二甲亚砜)。']
MF:	C20H22N4O10S

RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R36/37/38:Irritating to eyes, respiratory system and skin .
HS_Code:	2941905990
WGK_Germany:	3
Safety_Statements:	S24/25