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263155-11-9

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Basic Information
CAS No.: 263155-11-9
Name: 4-ACETYLAMINO-2,6-ANHYDRO-3,4-DIDEOXY-D-GLYCERO-D-GALACTONON-2-ENONIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 263155-11-9 (4-ACETYLAMINO-2,6-ANHYDRO-3,4-DIDEOXY-D-GLYCERO-D-GALACTONON-2-ENONIC ACID)
Formula: C11H17NO8
Molecular Weight: 291.258
Synonyms: 4-Acetylamino-Kdn2en, iso-Neu4Ac2en;4-Acetamido-3-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid;
Density: 1.588 g/cm3
Melting Point: 189-191°C
Boiling Point: 773.428 °C at 760 mmHg
Flash Point: 421.554 °C
Solubility: Soluble in DMSO and Water
Appearance: White solid
PSA: 156.55000
LogP: -2.67570
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Specification

The D-Glycero-D-galacto-Non-2-enonicacid, 4-(acetylamino)-2,6-anhydro-3,4-dideoxy- with CAS registry number of 263155-11-9 is also known as 4-Acetylamino-Kdn2en, iso-Neu4Ac2en. The systematic name is 4-Acetamido-3-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid. In addition, the formula is C11H17NO8 and the molecular weight is 291.25. This chemical is a white solid and it is soluble in DMSO and water. What's more, it is used as a potential inhibitor of virus sialidase.

Physical properties about D-Glycero-D-galacto-Non-2-enonicacid, 4-(acetylamino)-2,6-anhydro-3,4-dideoxy- are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 9; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 9; (9)Index of Refraction: 1.613; (10)Molar Refractivity: 63.804 cm3; (11)Molar Volume: 183.406 cm3; (12)Surface Tension: 86.133 dyne/cm; (13)Density: 1.588 g/cm3; (14)Flash Point: 421.554 °C; (15)Enthalpy of Vaporization: 128.353 kJ/mol; (16)Boiling Point: 773.428 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)NC1C=C(OC(C1O)[C@@H]([C@@H](CO)O)O)C(=O)O
2. InChI: InChI=1/C11H17NO8/c1-4(14)12-5-2-7(11(18)19)20-10(8(5)16)9(17)6(15)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1
3. InChIKey: OROCJNDGXWMTBX-NZZKMWLNBN
4. Std. InChI: InChI=1S/C11H17NO8/c1-4(14)12-5-2-7(11(18)19)20-10(8(5)16)9(17)6(15)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1
5. Std. InChIKey: OROCJNDGXWMTBX-NZZKMWLNSA-N