(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol

C11H17N5O3 — CID 139454133

IUPAC(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
SMILESCO[C@H](C[C@H](O)CCO)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H17N5O3/c1-19-8(4-7(18)2-3-17)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17-18H,2-4H2,1H3,(H2,12,13,14)/t7-,8-/m1/s1
InChIKeyQPYPUHOXBUDQSP-HTQZYQBOSA-N
MW267.29 g/mol
LogP-0.31
Rot. Bonds6

About (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol

(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol (PubChem CID 139454133) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol.

Molecular Properties

Compound Name(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
PubChem CID139454133
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
SMILESCO[C@H](C[C@H](O)CCO)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H17N5O3/c1-19-8(4-7(18)2-3-17)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17-18H,2-4H2,1H3,(H2,12,13,14)/t7-,8-/m1/s1
InChIKeyQPYPUHOXBUDQSP-HTQZYQBOSA-N
XLogP-0.31
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(6-aminopurin-9-yl)-2-methoxyethyl]phosphonic acid
CID 68654544
9-[2-[ethyl(methyl)amino]-1-methoxyethyl]purin-6-amine
CID 170584752
2-(6-aminopurin-9-yl)pentane-1,4-diol
CID 58657770
1-(6-aminopurin-9-yl)hexane-1,6-diol
CID 67892821
(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656
[3-(6-aminopurin-9-yl)-3-(2-hydroxyethoxy)propyl]phosphonic acid
CID 164613286
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
4-(6-aminopurin-9-yl)-2-methoxypentan-1-ol;(4-chlorophenyl)methanediol
CID 143411589
sodium;1-(6-aminopurin-9-yl)-4-methanidylpentan-1-ol;propane
CID 155737450
9-(1-aminopentyl)purin-6-amine
CID 174938588
disodium;2-[1-(6-aminopurin-9-yl)-3-(phosphonatomethoxy)propoxy]ethanol
CID 164613694
(2R,3S)-2-[(1R)-1-(6-aminopurin-9-yl)ethoxy]-2-ethynylbutane-1,3-diol
CID 129212729

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol?
The IUPAC name of (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol (CID 139454133) is (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol.
What is the SMILES notation for (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol?
The canonical SMILES for (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol is CO[C@H](C[C@H](O)CCO)n1cnc2c(N)ncnc21.
What is the InChIKey of (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol?
The InChIKey is QPYPUHOXBUDQSP-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-19-8(4-7(18)2-3-17)16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17-18H,2-4H2,1H3,(H2,12,13,14)/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol?
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol has a molecular weight of 267.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol is sourced from PubChem (CID 139454133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).