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Chemical ID: 5789138

Chemical ID:

5789138

Name [?]:

1-(2-amino-4-hydroxy-pteridin-6-yl)propane-1,2,3-triol

SMILES [?]:

c1c(nc2c(n1)nc(nc2O)N)C(C(CO)O)O

InChi [?]:

InChI=1/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)

InChi Info:

AuxInfo=1/1/N:1,15,2,14,4,13,5,10,8,12,6,3,7,9,16,17,18,11/rA:18cCCNCCNNCNCONCCCOOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s8;s2;s13;s14;s15;s14;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₁N₅O₄
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	2

ZAP Information [?]

Total:	4.10832
Area:	412.957
Solvation:	-6.21562
Coulombic:	-104.986

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	253.215
H-Bond Donors:	6
H-Bond Acceptors:	5
XLogP:	-2.4
LogP (Chemaxon):	-1.14

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