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Chemical ID: 7029552

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(c(c4)OC)O

Chemical ID:

7029552

Name [?]:

4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one

SMILES [?]:

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(c(c4)OC)O

InChi [?]:

InChI=1/C24H25NO8/c1-30-9-3-8-25-21(14-4-6-16(26)18(12-14)31-2)20(23(28)24(25)29)22(27)15-5-7-17-19(13-15)33-11-10-32-17/h4-7,12-13,21,26,28H,3,8-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,4,26,16,27,17,5,3,23,22,30,20,25,15,28,18,29,19,8,7,13,9,10,6,33,14,12,11,2,31,24,21/rA:33cCOCCCNCCCCOOCOCCCCCCOCCOCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s7;s25;d26;s27;d28;d25s29;s29;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅NO₈
All Atoms:	58
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	7.16044
Area:	686.454
Solvation:	-10.0009
Coulombic:	-87.8693

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	455.457
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	2.5
LogP (Chemaxon):	0.89

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