CAS No.101490-85-1,RESORUFIN BETA-D-GLUCOPYRANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101490-85-1
Name:	RESORUFIN BETA-D-GLUCOPYRANOSIDE

Formula:	C₁₈H₁₇NO₈
Molecular Weight:	375.335
Synonyms:	3-Oxo-3H-phenoxazin-7-yl β-D-glucopyranoside;
EINECS:	1533716-785-6
Density:	1.71 g/cm³
Melting Point:	218-220℃ (decomposition)
Boiling Point:	651.6 °C at 760 mmHg
Flash Point:	347.9 °C
Solubility:	soluble in DMF
Safety:	22-24/25
PSA:	142.48000
LogP:	-0.52850

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Specification

The 3H-Phenoxazin-3-one, 7-(b-D-glucopyranosyloxy)-, with the CAS registry number 101490-85-1, is also known as 3-Oxo-3H-phenoxazin-7-yl β-D-glucopyranoside. This chemical's molecular formula is C₁₈H₁₇NO₈ and molecular weight is 375.33. What's more, its systematic name is 7-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenoxazin-3-one. In addition, it must be stored at -20 °C. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about 3H-Phenoxazin-3-one, 7-(b-D-glucopyranosyloxy)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 9; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 138.04 Å²; (6)Index of Refraction: 1.723; (7)Molar Refractivity: 86.78 cm³; (8)Molar Volume: 218.8 cm³; (9)Polarizability: 34.4×10^-24 cm³; (10)Surface Tension: 71.2 dyne/cm; (11)Density: 1.71 g/cm³; (12)Flash Point: 347.9 °C; (13)Enthalpy of Vaporization: 100.89 kJ/mol; (14)Boiling Point: 651.6 °C at 760 mmHg; (15)Vapour Pressure: 7.25E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1\C=C/C\2=N/c3ccc(cc3O\C/2=C/1)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
(2) InChI: InChI=1/C18H17NO8/c20-7-14-15(22)16(23)17(24)18(27-14)25-9-2-4-11-13(6-9)26-12-5-8(21)1-3-10(12)19-11/h1-6,14-18,20,22-24H,7H2/t14-,15-,16+,17-,18-/m1/s1
(3) InChIKey: QULZFZMEBOATFS-UYTYNIKBBM