(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H19N5O6 — CID 11740302

IUPAC(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](n2cnc3ncnc(NCc4ccco4)c32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
InChIKeyAXJIOWGMASZFOU-HDNYONAXSA-N
MW377.36 g/mol
LogP-1.00
Rot. Bonds5

About (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11740302) has the molecular formula C16H19N5O6 and a molecular weight of 377.36 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID11740302
Molecular FormulaC16H19N5O6
Molecular Weight377.36 g/mol
Exact Mass377.13
IUPAC Name(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](n2cnc3ncnc(NCc4ccco4)c32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
InChIKeyAXJIOWGMASZFOU-HDNYONAXSA-N
XLogP-1.00
TPSA158.92 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

Kinetin
CID 3830
Kinetin riboside
CID 20345
1-[2-[6-Amino-8-(furan-2-yl)-9-prop-2-ynylpurin-2-yl]ethynyl]cyclohexan-1-ol
CID 89805044
Furfuryladenosine
CID 3832
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
kinetin-9-N-glucoside
CID 25203435
(2R,3R,4S,5R)-2-[2-Chloro-6-((R)-1-methyl-2-phenoxy-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CID 9845859
(2R,3R,4S,5R)-2-[2-Chloro-6-(1-methyl-2-phenoxy-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CID 9932711
(2R,3R,4S,5R)-2-[2-Chloro-6-((S)-1-methyl-2-phenoxy-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CID 9954677
(2S,3S,4R,5R)-5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 10067988
1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethynyl)-cyclohexanol
CID 10544916

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11740302) is (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](n2cnc3ncnc(NCc4ccco4)c32)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is AXJIOWGMASZFOU-HDNYONAXSA-N. The full InChI is InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 377.36 g/mol, XLogP of -1.00, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-[6-(furan-2-ylmethylamino)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11740302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).