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113890-35-0

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Basic Information
CAS No.: 113890-35-0
Name: 2-Deoxy-alpha-L-erythro-pentofuranose
Article Data: 5
Molecular Structure:
Molecular Structure of 113890-35-0 (2-Deoxy-alpha-L-erythro-pentofuranose)
Formula: C5H10O4
Molecular Weight: 134.132
Synonyms: 2-Deoxy-a-L-ribose;
Density: 1.453 g/cm3
Boiling Point: 363.013 °C at 760 mmHg
Flash Point: 173.344 °C
PSA: 69.92000
LogP: -1.55310
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Specification

The systematic name of 2-Deoxy-alpha-L-erythro-pentofuranose is 2-Deoxy-α-L-erythro-pentofuranose. With the CAS registry number 113890-35-0, it is also named as α-L-Erythro-pentofuranose, 2-deoxy-. In addition, its molecular formula is C5H10O4 and its molecular weight is 134.13.

The other characteristics of 2-Deoxy-alpha-L-erythro-pentofuranose can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.06; (5)ACD/KOC (pH 7.4): 4.06; (6)H bond acceptors: 4; (7)H bond donors: 3; (8)Freely Rotating Bonds: 4; (9)Polar Surface Area: 36.92 Å2; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 29.46 cm3; (12)Molar Volume: 92.3 cm3; (13)Polarizability: 11.67×10-24cm3; (14)Surface Tension: 62.2 dyne/cm; (15)Density: 1.453 g/cm3; (16)Flash Point: 173.3 °C; (17)Enthalpy of Vaporization: 70.49 kJ/mol; (18)Boiling Point: 363 °C at 760 mmHg; (19)Vapour Pressure: 9.74E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC[C@@H]1O[C@@H](O)C[C@H]1O
(2)InChI:InChI=1/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5-/m1/s1
(3)InChIKey:PDWIQYODPROSQH-MROZADKFBW
(4)Std. InChI:InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5-/m1/s1
(5)Std. InChIKey:PDWIQYODPROSQH-MROZADKFSA-N