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Chemical ID: 6913726

c1nc2c(=O)[nH]c(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

Chemical ID:

6913726

Name [?]:

[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

SMILES [?]:

c1nc2c(=O)[nH]c(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

InChi [?]:

InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)

InChi Info:

AuxInfo=1/1/N:16,1,14,3,13,12,9,4,11,7,28,2,8,6,10,26,27,5,23,24,25,19,20,17,15,21,22,18/E:(19,20,21)(22,23)/rA:28cCNCCONCNCNCCCCOCOPOOOPOOOOON/rB:d1;s2;s3;d4;s4;s6;d7;d3s8;s1s9;s10;s11;s12;s13;s11s14;s14;s16;s17;d18;s18;s18;s21;d22;s22;s22;s13;s12;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₅N₅O₁₁P₂
All Atoms:	43
Heavy Atoms:	28
Chiral Atoms:	5

ZAP Information [?]

Total:	5.55786
Area:	601.375
Solvation:	-9.47651
Coulombic:	-184.22

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	443.201
H-Bond Donors:	7
H-Bond Acceptors:	12
XLogP:	-5.16
LogP (Chemaxon):	-4.72

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

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Chemical Mix	Source	External ID	Descriptor	Value