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L-Mannitol,1-deoxy-1-nitro-

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Name

L-Mannitol,1-deoxy-1-nitro-

EINECS 227-894-7
CAS No. 6027-42-5 Density 1.632 g/cm3
PSA 146.97000 LogP -2.77780
Solubility N/A Melting Point 133 °C
Formula C6H13NO7 Boiling Point 608.3 °C at 760 mmHg
Molecular Weight 211.172 Flash Point 268.9 °C
Transport Information N/A Appearance white to almost white crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 6027-42-5 (1-DEOXY-1-NITRO-L-MANNITOL) Hazard Symbols N/A
Synonyms

Mannitol,1-deoxy-1-nitro-, L- (8CI);1-Deoxy-1-nitro-L-mannitol;1-Deoxy-1-nitro-L-manno-hexitol;NSC 25292;

Article Data 6

L-Mannitol,1-deoxy-1-nitro- Specification

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

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