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Chemical ID: 5788857

Chemical ID:

5788857

Name [?]:

1-[3-hydroxy-5-(hydroxymethyl)-4-methoxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione

SMILES [?]:

COC1C(OC(C1O)n2ccc(=O)[nH]c2=O)CO

InChi [?]:

InChI=1/C10H14N2O6/c1-17-8-5(4-13)18-9(7(8)15)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)

InChi Info:

AuxInfo=1/1/N:1,11,10,17,4,12,7,3,6,15,14,9,18,13,8,16,2,5/rA:18cCOCCOCCONCCCONCOCO/rB:s1;s2;s3;s4;s5;s3s6;s7;s6;s9;d10;s11;d12;s12;s9s14;d15;s4;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₄N₂O₆
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	4

ZAP Information [?]

Total:	2.71304
Area:	423.974
Solvation:	-7.88632
Coulombic:	-85.9915

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	258.228
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	-2.46
LogP (Chemaxon):	-0.85

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