(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol

C11H15N5O3 — CID 10706793

IUPAC(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
SMILESC=C(CO)[C@@H](O)[C@@H](O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O3/c1-6(3-17)9(19)7(18)2-16-5-15-8-10(12)13-4-14-11(8)16/h4-5,7,9,17-19H,1-3H2,(H2,12,13,14)/t7-,9+/m0/s1
InChIKeyFXVSWPQBJGEUTD-IONNQARKSA-N
MW265.27 g/mol
LogP-1.32
Rot. Bonds5

About (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol

(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol (PubChem CID 10706793) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol.

Molecular Properties

Compound Name(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
PubChem CID10706793
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
SMILESC=C(CO)[C@@H](O)[C@@H](O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O3/c1-6(3-17)9(19)7(18)2-16-5-15-8-10(12)13-4-14-11(8)16/h4-5,7,9,17-19H,1-3H2,(H2,12,13,14)/t7-,9+/m0/s1
InChIKeyFXVSWPQBJGEUTD-IONNQARKSA-N
XLogP-1.32
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol with MolForge

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Related Compounds

methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
prop-2-enyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 131879127
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
[(3R)-4-(6-aminopurin-9-yl)-3-hydroxybutyl]phosphonic acid
CID 146313430
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
2-methoxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
CID 5271673
[(E,3R)-4-(6-aminopurin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid
CID 67880433
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonous acid
CID 144949236
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
9-(3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 57195073
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol?
The IUPAC name of (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol (CID 10706793) is (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol.
What is the SMILES notation for (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol?
The canonical SMILES for (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol is C=C(CO)[C@@H](O)[C@@H](O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol?
The InChIKey is FXVSWPQBJGEUTD-IONNQARKSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-6(3-17)9(19)7(18)2-16-5-15-8-10(12)13-4-14-11(8)16/h4-5,7,9,17-19H,1-3H2,(H2,12,13,14)/t7-,9+/m0/s1.
What are the key properties of (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol?
(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol has a molecular weight of 265.27 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol is sourced from PubChem (CID 10706793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).