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Name
4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-beta-L-threo-pentofuranose
- EINECS
- CAS No. 72261-44-0
- Article Data6
- CAS DataBase
- Density 1.29 g/cm3
- Solubility
- Melting Point 70-71 °C
- Formula C16H22O6
- Boiling Point 442.5 °C at 760 mmHg
- Molecular Weight 310.347
- Flash Point 221.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Furo[2,3-d]-1,3-dioxole,b-L-threo-pentofuranose deriv.;
- PSA 77.38000
- LogP 0.80300
4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-beta-L-threo-pentofuranose Specification
The 4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-beta-L-threo-pentofuranose is an organic compound with the formula C16H22O6. With the CAS registry number 72261-44-0, the systematic name of this chemical is [(3aR,6R,6aR)-6-benzyloxy-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[4,5-d][1,3]dioxol-5-yl]methanol.
Physical properties about 4-(Hydroxymethyl)-1,2-O-isopropylidene-3-O-benzyl-beta-L-threo-pentofuranose are: (1)ACD/LogP: 3.73; (2)ACD/LogD (pH 5.5): 3.73; (3)ACD/LogD (pH 7.4): 3.73; (4)ACD/BCF (pH 5.5): 401.63; (5)ACD/BCF (pH 7.4): 401.63; (6)ACD/KOC (pH 5.5): 2543.43; (7)ACD/KOC (pH 7.4): 2543.43; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.38 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 78.95 cm3; (14)Molar Volume: 238.7 cm3; (15)Polarizability: 31.3×10-24cm3; (16)Surface Tension: 53.9 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 221.4 °C; (19)Enthalpy of Vaporization: 73.78 kJ/mol; (20)Boiling Point: 442.5 °C at 760 mmHg; (21)Vapour Pressure: 1.3E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(OC2C(C(OC2O1)(CO)CO)OCc3ccccc3)C
(2)InChI: InChI=1/C16H22O6/c1-15(2)20-12-13(19-8-11-6-4-3-5-7-11)16(9-17,10-18)22-14(12)21-15/h3-7,12-14,17-18H,8-10H2,1-2H3/t12-,13-,14+/m1/s1
(3)InChIKey: QVXXTLFHRGMIHD-MCIONIFRBP
(4)Std. InChI: InChI=1S/C16H22O6/c1-15(2)20-12-13(19-8-11-6-4-3-5-7-11)16(9-17,10-18)22-14(12)21-15/h3-7,12-14,17-18H,8-10H2,1-2H3/t12-,13-,14+/m1/s1
(5)Std. InChIKey: QVXXTLFHRGMIHD-MCIONIFRSA-N
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