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Chemical ID: 5638071

c1cc(cc(c1)[N+](=O)[O-])C(=O)OC2C(OC3C2OC4(O3)CCCCC4)C5COC6(O5)CCCCC6

Chemical ID:

5638071

Name [?]:

None

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])C(=O)OC2C(OC3C2OC4(O3)CCCCC4)C5COC6(O5)CCCCC6

InChi [?]:

InChI=1/C25H31NO9/c27-22(16-8-7-9-17(14-16)26(28)29)31-20-19(18-15-30-24(33-18)10-3-1-4-11-24)32-23-21(20)34-25(35-23)12-5-2-6-13-25/h7-9,14,18-21,23H,1-6,10-13,15H2

InChi Info:

AuxInfo=1/0/N:33,23,32,34,22,24,1,2,6,31,35,21,25,4,27,3,5,26,14,13,17,10,16,29,19,7,11,8,9,28,12,15,30,18,20/E:(3,4)(5,6)(10,11)(12,13)(28,29)/CRV:26.5/rA:35cCCCCCCN+OO-COOCCOCCOCOCCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;s13;s14;s15;s13s16;s17;s18;s16s19;s19;s21;s22;s23;s19s24;s14;s26;s27;s28;s26s29;s29;s31;s32;s33;s29s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁NO₉
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	5

ZAP Information [?]

Total:	5.0979
Area:	687.772
Solvation:	-12.0964
Coulombic:	-75.861

Bond Count [?]

All:	40
Single:	35
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	489.515
H-Bond Donors:	0
H-Bond Acceptors:	10
XLogP:	4.39
LogP (Chemaxon):	4.87

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