3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride

C11H15Cl2N5O3 — CID 23209333

IUPAC3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
SMILESCl.Cl.Nc1ncnc2c1ncn2C1COC2C(O)COC21
InChIInChI=1S/C11H13N5O3.2ClH/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-18-9-6(17)2-19-8(5)9;;/h3-6,8-9,17H,1-2H2,(H2,12,13,14);2*1H
InChIKeyPTCSLWKLBTWXOP-UHFFFAOYSA-N
MW336.18 g/mol
LogP-0.05
Rot. Bonds1

About 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride

3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride (PubChem CID 23209333) has the molecular formula C11H15Cl2N5O3 and a molecular weight of 336.18 g/mol. Its IUPAC name is 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride.

Molecular Properties

Compound Name3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
PubChem CID23209333
Molecular FormulaC11H15Cl2N5O3
Molecular Weight336.18 g/mol
Exact Mass335.06
IUPAC Name3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
SMILESCl.Cl.Nc1ncnc2c1ncn2C1COC2C(O)COC21
InChIInChI=1S/C11H13N5O3.2ClH/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-18-9-6(17)2-19-8(5)9;;/h3-6,8-9,17H,1-2H2,(H2,12,13,14);2*1H
InChIKeyPTCSLWKLBTWXOP-UHFFFAOYSA-N
XLogP-0.05
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride with MolForge

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Related Compounds

(3S,3aR,6R,6aS)-3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-thiol
CID 59901097
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxan-3-ol
CID 11460257
(3S,6S)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
CID 10775981
(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
CID 10752094
[(1R,2S,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.2.0]heptan-2-yl]methanol
CID 10563492
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride?
The IUPAC name of 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride (CID 23209333) is 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride.
What is the SMILES notation for 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride?
The canonical SMILES for 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride is Cl.Cl.Nc1ncnc2c1ncn2C1COC2C(O)COC21.
What is the InChIKey of 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride?
The InChIKey is PTCSLWKLBTWXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3.2ClH/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-18-9-6(17)2-19-8(5)9;;/h3-6,8-9,17H,1-2H2,(H2,12,13,14);2*1H.
What are the key properties of 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride?
3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride has a molecular weight of 336.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride is sourced from PubChem (CID 23209333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).