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CAS No.: | 6027-42-5 |
---|---|
Name: | 1-DEOXY-1-NITRO-L-MANNITOL |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H13NO7 |
Molecular Weight: | 211.172 |
Synonyms: | Mannitol,1-deoxy-1-nitro-, L- (8CI);1-Deoxy-1-nitro-L-mannitol;1-Deoxy-1-nitro-L-manno-hexitol;NSC 25292; |
EINECS: | 227-894-7 |
Density: | 1.632 g/cm3 |
Melting Point: | 133 °C |
Boiling Point: | 608.3 °C at 760 mmHg |
Flash Point: | 268.9 °C |
Appearance: | white to almost white crystalline powder |
Safety: | 24/25 |
PSA: | 146.97000 |
LogP: | -2.77780 |
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The L-Mannitol,1-deoxy-1-nitro-, with CAS registry number 6027-42-5, has the systematic name of 1-deoxy-1-nitro-L-mannitol. This chemical is a kind of white to almost white crystalline powder. When use this chemical, avoid contact with skin and eyes. And the chemical formula of this chemical is C6H13NO7. What's more, its EINECS is 227-894-7.
Physical properties of L-Mannitol,1-deoxy-1-nitro-: (1)ACD/LogP: -2.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.52; (4)ACD/LogD (pH 7.4): -2.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 91.97 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 43.37 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 17.19×10-24cm3; (17)Surface Tension: 93.7 dyne/cm; (18)Density: 1.632 g/cm3; (19)Flash Point: 268.9 °C; (20)Enthalpy of Vaporization: 103.67 kJ/mol; (21)Boiling Point: 608.3 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
(2)InChI: InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2/t3-,4-,5-,6-/m0/s1
(3)InChIKey: HOFCJTOUEGMYBT-BXKVDMCEBU
(4)Std. InChI: InChI=1S/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2/t3-,4-,5-,6-/m0/s1
(5)Std. InChIKey: HOFCJTOUEGMYBT-BXKVDMCESA-N