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Name |
1,3,5-Tri-O-acetyl-2-deoxy-alpha-D-erythro-pentofuranose |
EINECS | N/A |
CAS No. | 96291-74-6 | Density | 1.24 g/cm3 |
PSA | 88.13000 | LogP | 0.15930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H16O7 | Boiling Point | 329.3 °C at 760 mmHg |
Molecular Weight | 260.244 | Flash Point | 143 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
alpha-D-erythro-pentofuranose, 2-deoxy-, triacetate; |
Article Data | 16 |
The 1,3,5-Tri-O-acetyl-2-deoxy-alpha-D-erythro-pentofuranose with cas registry number of 96291-74-6, has the systematic name of alpha-D-erythro-pentofuranose, 2-deoxy-, triacetate. And it is also named A-d-erythro-pentofuranose.
Physical properties about this chemical are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.14; (8)ACD/KOC (pH 7.4): 26.14; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 88.13 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 58.17 cm3; (15)Molar Volume: 209.6 cm3; (16)Polarizability: 23.06×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Enthalpy of Vaporization: 57.18 kJ/mol; (19)Vapour Pressure: 0.000179 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC[C@@H]1[C@H](C[C@H](O1)OC(=O)C)OC(=O)C;
(2)InChI: InChI=1/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10+,11-/m0/s1;
(3)InChIKey: QAGMBTAACMQRSS-AXFHLTTABT;
(4)Std. InChI: InChI=1S/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10+,11-/m0/s1; (5)Std. InChIKey: QAGMBTAACMQRSS-AXFHLTTASA-N