-
Name
tetrasodium 4,8-diamino-9,10-dihydro-1,5-dioxido-9,10-dioxoanthracene-2,6-disulphonate
- EINECS 229-191-0
- CAS No. 6425-01-0
- Density
- Solubility
- Melting Point
- Formula C14H6N2Na4O10S2
- Boiling Point
- Molecular Weight 518.29392
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4, 8-Diamino-9, 10-dihydro-9, 10-dioxo-1, 5-bis(sodiooxy)anthracene-2, 6-disulfonic acid disodium salt;
- PSA 263.46000
- LogP 3.04620
Tetrasodium 4,8-diamino-1,5-dioxido-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate Specification
The Tetrasodium 4, 8-diamino-1, 5-dioxido-9, 10-dioxo-9, 10-dihydroanthracene-2, 6-disulfonate, with the CAS registry number 6425-01-0, is also known as 4, 8-Diamino-9, 10-dihydro-9, 10-dioxo-1, 5-bis(sodiooxy)anthracene-2, 6-disulfonic acid disodium salt. Its EINECS registry number is 229-191-0. This chemical's molecular formula is C14H6N2Na4O10S2 and molecular weight is 518.29392. What's more, its IUPAC name is Tetrasodium 4, 8-diamino-1, 5-dioxido-9, 10-dioxoanthracene-2, 6-disulfonate.
Physical properties about Tetrasodium 4, 8-diamino-1, 5-dioxido-9, 10-dioxo-9, 10-dihydroanthracene-2, 6-disulfonate are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -4.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 206.58 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3cc(N)c2c(C(=O)c1c(cc(c([O-])c1C2=O)S([O-])(=O)=O)N)c3[O-]
(2) InChI: InChI=1/C14H10N2O10S2.4Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;;;/q;4*+1/p-4
(3) InChIKey: IUHCNSUKXRVSRB-XBHQNQODAX
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- TETRASODIUM FOSFESTROL
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