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115457-83-5

Basic Information
CAS No.: 115457-83-5
Name: HECAMEG
Article Data: 2
Molecular Structure:
Molecular Structure of 115457-83-5 (HECAMEG)
Formula: C15H29NO7
Molecular Weight: 335.398
Synonyms: Methyl 6-O-(N-heptylcarbamoyl)-α-D-glucopyranoside;
Density: 1.21 g/cm3
Melting Point: 103-105 °C
Boiling Point: 503.9 °C at 760 mmHg
Flash Point: 258.5 °C
Solubility: 10 mg/mL in water
Appearance: white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25-36-26
PSA: 117.48000
LogP: 0.52790
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Specification

The 6-O-(N-Heptylcarbamoyl)-methyl-α-D-glucopyranoside, with the CAS registry number of 115457-83-5, is also known as Methyl 6-O-(N-heptylcarbamoyl)-α-D-glucopyranoside. This chemical's molecular formula is C15H29NO7 and molecular weight is 335.39. What's more, its IUPAC name is [(2R, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate. In addition, it must be stored in airtight containers at 2-8 °C.

Physical properties about 6-O-(N-Heptylcarbamoyl)-methyl-α-D-glucopyranoside are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 103.38; (6)ACD/BCF (pH 7.4): 103.38; (7)ACD/KOC (pH 5.5): 962.85; (8)ACD/KOC (pH 7.4): 962.84; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 75.69 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 82.94 cm3; (15)Molar Volume: 275.6 cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 258.5 °C; (19)Enthalpy of Vaporization: 89.03 kJ/mol; (20)Boiling Point: 503.9 °C at 760 mmHg; (21)Vapour Pressure: 2.9E-12 mmHg at 25 °C.

When you are using 6-O-(N-Heptylcarbamoyl)-methyl-α-D-glucopyranoside, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, and you should avoid contacting with skin and eyes. In case of contact 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=C(OC[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]1O)NCCCCCCC
(2) InChI: InChI=1/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12+,13-,14+/m1/s1
(3) InChIKey: XPIVOYOQXKNYHA-RGDJUOJXBB