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26153-04-8

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Basic Information
CAS No.: 26153-04-8
Name: 3,4-Dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-2H-naphtho[2,3-b]pyran-6,9-dione
Molecular Structure:
Molecular Structure of 26153-04-8 (3,4-Dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-2H-naphtho[2,3-b]pyran-6,9-dione)
Formula: C17H16O8
Molecular Weight: 348.30924
Synonyms: 2H-Naphtho[2,3-b]pyran-6,9-dione,2-acetonyl-3,4-dihydro-4,5,10-trihydroxy-8-methoxy-, (+)- (8CI);(+)-Erythrostominone;Erythrostominone;3,4-Dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-2H-naphtho[2,3-b]pyran-6,9-dione;
Density: 1.58g/cm3
Boiling Point: 615.4 °C at 760 mmHg
Flash Point: 228.1 °C
PSA: 130.36000
LogP: 1.17070
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Specification

The CAS register number of 2H-Naphtho[2,3-b]pyran-6,9-dione,3,4-dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-, (2R,4S)- is 26153-04-8. It also can be called as Erythrostominone and the IUPAC name about this chemical is (2R,4S)-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-6,9-dione. The molecular formula about this chemical is C17H16O8 and the molecular weight is 348.30924.

Physical properties about 2H-Naphtho[2,3-b]pyran-6,9-dione,3,4-dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-, (2R,4S)- are: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): -0.47; (4)ACD/BCF (pH 5.5): 1.07; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.8; (7)ACD/KOC (pH 7.4): 5.47; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 97.36 Å2; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 81.64 cm3; (14)Molar Volume: 220.3 cm3; (15)Polarizability: 32.36x10-24cm3; (16)Surface Tension: 82.2 dyne/cm; (17)Density: 1.58 g/cm3; (18)Flash Point: 228.1 °C; (19)Enthalpy of Vaporization: 94.64 kJ/mol; (20)Boiling Point: 615.4 °C at 760 mmHg; (21)Vapour Pressure: 9.79E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(C(=O)C(/OC)=C/1)c(O)c2O[C@H](C[C@H](O)c2c3O)CC(=O)C
(2)InChI: InChI=1/C17H16O8/c1-6(18)3-7-4-8(19)12-15(22)11-9(20)5-10(24-2)14(21)13(11)16(23)17(12)25-7/h5,7-8,19,22-23H,3-4H2,1-2H3/t7-,8-/m0/s1
(3)InChIKey: XCCPWOLOVUKRKJ-YUMQZZPRBM
(4)Std. InChI: InChI=1S/C17H16O8/c1-6(18)3-7-4-8(19)12-15(22)11-9(20)5-10(24-2)14(21)13(11)16(23)17(12)25-7/h5,7-8,19,22-23H,3-4H2,1-2H3/t7-,8-/m0/s1
(5)Std. InChIKey: XCCPWOLOVUKRKJ-YUMQZZPRSA-N