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Chemical ID: 4570877

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)C(c4ccccc4)NC(=O)OCc5ccccc5

Chemical ID:

4570877

Name [?]:

None

SMILES [?]:

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)C(c4ccccc4)NC(=O)OCc5ccccc5

InChi [?]:

InChI=1/C31H25NO7/c1-19-26(16-15-24-23-14-13-22(36-2)17-25(23)29(33)39-28(19)24)38-30(34)27(21-11-7-4-8-12-21)32-31(35)37-18-20-9-5-3-6-10-20/h3-17,27H,18H2,1-2H3,(H,32,35)

InChi Info:

AuxInfo=1/1/N:1,18,37,26,36,38,25,27,35,39,24,28,14,13,5,4,16,33,2,34,23,15,12,6,11,3,22,7,9,20,30,29,10,21,31,17,32,19,8/E:(5,6)(7,8)(9,10)(11,12)/rA:39cCCCCCCCOCOCCCCCCOCOCOCCCCCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s22;s29;d30;s30;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₅NO₇
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	14.1371
Area:	787.574
Solvation:	-5.55225
Coulombic:	-82.2145

Bond Count [?]

All:	43
Single:	28
Double:	15
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	523.533
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.0
LogP (Chemaxon):	6.13

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