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Chemical ID: 5089650

Chemical ID:

5089650

Name [?]:

1-[4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4-imino-pyrimidin-2-one

SMILES [?]:

c1cn(c(=O)[nH]c1=N)C2CC(C(C(O2)CO)O)O

InChi [?]:

InChI=1/C10H15N3O5/c11-7-1-2-13(10(17)12-7)8-3-5(15)9(16)6(4-14)18-8/h1-2,5-6,8-9,14-16H,3-4H2,(H2,11,12,17)

InChi Info:

AuxInfo=1/1/N:1,2,10,15,11,13,7,9,12,4,8,6,3,16,18,17,5,14/rA:18cCCNCONCNCCCCCOCOOO/rB:d1;s2;s3;d4;s4;s1s6;w7;s3;s9;s10;s11;s12;s9s13;s13;s15;s12;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₅N₃O₅
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	4

ZAP Information [?]

Total:	1.72193
Area:	394.165
Solvation:	-8.1322
Coulombic:	-94.8672

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	257.243
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	-1.57
LogP (Chemaxon):	-0.71

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value