(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol

C11H17N5O — CID 67145035

IUPAC(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
SMILESCCC[C@@H]([C@H](C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H17N5O/c1-3-4-8(7(2)17)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17H,3-4H2,1-2H3,(H2,12,13,14)/t7-,8-/m0/s1
InChIKeyFPLMMSKPVLQAMG-YUMQZZPRSA-N
MW235.29 g/mol
LogP1.13
Rot. Bonds4

About (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol

(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol (PubChem CID 67145035) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
PubChem CID67145035
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
SMILESCCC[C@@H]([C@H](C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H17N5O/c1-3-4-8(7(2)17)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17H,3-4H2,1-2H3,(H2,12,13,14)/t7-,8-/m0/s1
InChIKeyFPLMMSKPVLQAMG-YUMQZZPRSA-N
XLogP1.13
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-aminopurin-9-yl)-4-(4-methylphenyl)butan-2-ol
CID 21460331
9-(1-aminopentyl)purin-6-amine
CID 174938588
sodium;1-(6-aminopurin-9-yl)-4-methanidylpentan-1-ol;propane
CID 155737450
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
1-(6-aminopurin-9-yl)hexane-1,6-diol
CID 67892821
[1-(6-aminopurin-9-yl)-2-hydroxypropoxy]methyl dihydrogen phosphate
CID 175123312
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-chloro-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 121245886
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
CID 139454133
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
1-O-ethyl 4-O-propyl 2-(6-aminopurin-9-yl)butanedioate
CID 53428116
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol?
The IUPAC name of (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol (CID 67145035) is (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol.
What is the SMILES notation for (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol?
The canonical SMILES for (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol is CCC[C@@H]([C@H](C)O)n1cnc2c(N)ncnc21.
What is the InChIKey of (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol?
The InChIKey is FPLMMSKPVLQAMG-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-4-8(7(2)17)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17H,3-4H2,1-2H3,(H2,12,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol?
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol is sourced from PubChem (CID 67145035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).