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Chemical ID: 5246405

CC1C(C(C(C(O1)O)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4

Chemical ID:

5246405

Name [?]:

(4,5-dibenzoyloxy-2-hydroxy-6-methyl-tetrahydropyran-3-yl) benzoate

SMILES [?]:

CC1C(C(C(C(O1)O)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4

InChi [?]:

InChI=1/C27H24O8/c1-17-21(33-24(28)18-11-5-2-6-12-18)22(34-25(29)19-13-7-3-8-14-19)23(27(31)32-17)35-26(30)20-15-9-4-10-16-20/h2-17,21-23,27,31H,1H3

InChi Info:

AuxInfo=1/0/N:1,33,24,15,32,34,23,25,14,16,31,35,22,26,13,17,2,30,21,12,3,4,5,28,19,10,6,29,20,11,8,7,27,18,9/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:35cCCCCCCOOOCOCCCCCCOCOCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s4;s18;d19;s19;s21;d22;s23;d24;d21s25;s3;s27;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄O₈
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	5

ZAP Information [?]

Total:	11.6016
Area:	689.661
Solvation:	-5.63998
Coulombic:	-89.7683

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	476.475
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.09
LogP (Chemaxon):	4.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value