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| Name |
3,4,4',7-Tetrahydroxyflavan |
EINECS | N/A |
| CAS No. | 38412-82-7 | Density | 1.504 g/cm3 |
| PSA | 90.15000 | LogP | 1.62580 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H14O5 | Boiling Point | 537.665 °C at 760 mmHg |
| Molecular Weight | 274.273 | Flash Point | 278.97 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7-Tetrahydroxyflavan;3,4,4',7-Tetrahydroxyflavan;4',7-Dihydroxy-2,3-trans-flavan-3,4-trans-diol;(2R,3S,4S)-2-(4-Hydroxyphenyl)chroMan-3,4,7-triol;344'7-Tetrahydroxyflavan/344'7-Flavantetrol(2R3S4R)-;2H-1-Benzopyran-3,4,7-triol, 3,4-dihydro-2-(4-hydroxyphenyl)-, [2R-(2α,3β,4α)]- (9CI) |
3,4,4',7-Tetrahydroxyflavan Specification
The 3,4,4',7-Tetrahydroxyflavan, with the CAS registry number 38412-82-7, has the molecular formula C15H14O5. In addition, this chemical molecular weight is 274.2687. Its systematic name is called (2R,3S,4R)-2-(4-hydroxyphenyl)chromane-3,4,7-triol.
Physical properties of 3,4,4',7-Tetrahydroxyflavan: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): 0.786; (3)ACD/LogD (pH 7.4): 0.782; (4)ACD/BCF (pH 5.5): 2.329; (5)ACD/BCF (pH 7.4): 2.306; (6)ACD/KOC (pH 5.5): 63.752; (7)ACD/KOC (pH 7.4): 63.115; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.712; (12)Molar Refractivity: 71.421 cm3; (13)Molar Volume: 182.323 cm3; (14)Surface Tension: 74.112 dyne/cm; (15)Density: 1.504 g/cm3; (16)Flash Point: 278.97 °C; (17)Enthalpy of Vaporization: 85.742 kJ/mol; (18)Boiling Point: 537.665 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1[C@@H]2[C@H]([C@@H](c3ccc(cc3O2)O)O)O)O
(2)InChI: InChI=1/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H/t13-,14+,15-/m1/s1
(3)InChIKey: NTLUSUFJOUMRLA-QLFBSQMIBC
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