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| CAS No.: | 618-65-5 |
|---|---|
| Name: | HELICIN |
| Molecular Structure: | |
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| Formula: | C13H16O7 |
| Molecular Weight: | 284.266 |
| Synonyms: | Helecin;Helicin;Helicin hydrate;2-(beta-d-glucopyranosyloxy)benzaldehyde;2-formylphenyl beta-d-glucopyranoside;2'-formylphenyl-beta-d-glucopyranoside;2-(o-beta-d-glucopyranosyloxy)benzaldehyde;(2s,3r,4s,5s,6r)-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzaldehyde; |
| EINECS: | 210-558-9 |
| Density: | 1.51g/cm3 |
| Melting Point: | 178 °C(lit.) |
| Boiling Point: | 552 °C at 760 mmHg |
| Flash Point: | 212.6 °C |
| Solubility: | 1.80E+04 mg/L in water |
| Appearance: | pale yellow solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
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Specification
This chemical is called Helicin, and it can also be named as Helecin. With the CAS number of 618-65-5, and its IUPAC name is 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde. Generally, its molecular formula is C13H16O7, and it's pale yellow solid. The product categories of this chemical are Aromatic Aldehydes & Derivatives (substituted), 13C & 2H Sugars, Biochemistry; Glucose, Glycosides, Sugars,Carbohydrates & Derivatives. In addition, Helicin is stable at normal temperature and pressure, and it should be stored at the temperature of 2-10°C or -20°C. Especially, it should be kept far away from light, fire, high temperature and oxide.
Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.93; (8)ACD/KOC (pH 7.4): 3.93; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.45 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 68.71 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 27.23×10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 212.6 °C; (20)Enthalpy of Vaporization: 87.6 kJ/mol; (21)Boiling Point: 552 °C at 760 mmHg; (22)Vapour Pressure: 5.1E-13 mmHg at 25°C; (23)Melting Point: 178 °C(lit.); (24)Refractive Index: -62 ° (C=0.8, H2O)
Notes: This chemical is irritating to eyes, respiratory system and skin, please avoid contacting with skin and eyes. When you are using it, please wear suitable protective clothing. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)cccc2
(2)InChI: InChI=1/C13H16O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
(3)InChIKey: BGOFCVIGEYGEOF-UJPOAAIJBJ
(4)Std. InChI: InChI=1S/C13H16O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
(5)Std. InChIKey: BGOFCVIGEYGEOF-UJPOAAIJSA-N