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63132-39-8

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Basic Information
CAS No.: 63132-39-8
Name: Olpadronate Sodium
Article Data: 11
Molecular Structure:
Molecular Structure of 63132-39-8 (Olpadronate Sodium)
Formula: C5H15NO7P2
Molecular Weight: 263.121
Synonyms: Phosphonic acid, [3-(dimethylamino)-1-hydroxypropylidene]bis-;
Density: 1.706 g/cm3
Boiling Point: 590.1 °C at 760 mmHg
Flash Point: 310.7 °C
PSA: 158.15000
LogP: -1.06040
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Specification

The Phosphonic acid,P,P'-[3-(dimethylamino)-1-hydroxypropylidene]bis-, with the CAS registry number of 63132-39-8, is also known as Phosphonic acid, [3-(dimethylamino)-1-hydroxypropylidene]bis-. Its molecular formula is C5H15NO7P2 and molecular weight is 263.121. What's more, its IUPAC name is 3-(Dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid. This chemical's classification code is Bone Density Conservation Agents.

Physical properties about the Phosphonic acid,P,P'-[3-(dimethylamino)-1-hydroxypropylidene]bis- are: (1)ACD/LogP: -2.77; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 103.15 Å2; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 50.32 cm3; (13)Molar Volume: 154.1 cm3; (14)Surface Tension: 93.6 dyne/cm; (15)Density: 1.706 g/cm3; (16)Flash Point: 310.7 °C; (17)Enthalpy of Vaporization: 101.06 kJ/mol; (18)Boiling Point: 590.1 °C at 760 mmHg; (19)Vapour Pressure: 2.21E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)C(O)(CCN(C)C)P(=O)(O)O
(2) InChI: InChI=1/C5H15NO7P2/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
(3) InChIKey: UGEPSJNLORCRBO-UHFFFAOYAI