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Chemical ID: 6691966

c1cn(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

Chemical ID:

6691966

Name [?]:

6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

SMILES [?]:

c1cn(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O

InChi [?]:

InChI=1/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)

InChi Info:

AuxInfo=1/1/N:1,2,14,12,7,11,26,27,10,25,28,9,30,24,4,6,3,8,36,34,33,37,35,31,32,5,17,18,21,22,15,13,29,23,19,16,20/E:(24,25)(27,28)(29,30)/rA:37cCCNCONCOCCCCOCOPOOOPOOOCCCCCOCOOOOOOO/rB:d1;s2;s3;d4;s4;s1s6;d7;s3;s9;s10;s11;s9s12;s12;s14;s15;d16;s16;s16;s19;d20;s20;s20;s23;s24;s25;s26;s27;s24s28;s28;d30;s30;s27;s26;s25;s11;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂N₂O₁₈P₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	11

ZAP Information [?]

Total:	2.75834
Area:	729.216
Solvation:	-15.4721
Coulombic:	-243.941

Bond Count [?]

All:	39
Single:	33
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	580.285
H-Bond Donors:	8
H-Bond Acceptors:	18
XLogP:	-6.17
LogP (Chemaxon):	-3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value