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Chemical ID: 5043065

Chemical ID:

5043065

Name [?]:

2-(2-amino-6-methoxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

SMILES [?]:

COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O

InChi [?]:

InChI=1/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)

InChi Info:

AuxInfo=1/1/N:1,18,11,16,4,15,14,5,3,13,7,9,12,6,8,10,19,20,21,2,17/rA:21cCOCCCNCNNNCNCCCCOCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s5;s10;s4d11;s10;s13;s14;s15;s13s16;s16;s18;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅N₅O₅
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	4

ZAP Information [?]

Total:	4.11832
Area:	466.57
Solvation:	-7.54593
Coulombic:	-106.792

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	297.267
H-Bond Donors:	5
H-Bond Acceptors:	6
XLogP:	-0.99
LogP (Chemaxon):	-0.69

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