actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol

C11H17Ac2N5O2 — CID 20667423

IUPACactinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol
SMILESNc1ncc2ncn(CCCC(CO)CO)c2n1.[Ac].[Ac]
InChIInChI=1S/C11H17N5O2.2Ac/c12-11-13-4-9-10(15-11)16(7-14-9)3-1-2-8(5-17)6-18;;/h4,7-8,17-18H,1-3,5-6H2,(H2,12,13,15);;
InChIKeyASUYOSURCLRSKA-UHFFFAOYSA-N
MW705.29 g/mol
LogP-0.21
Rot. Bonds6

About actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol

actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol (PubChem CID 20667423) has the molecular formula C11H17Ac2N5O2 and a molecular weight of 705.29 g/mol. Its IUPAC name is actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol.

Molecular Properties

Compound Nameactinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol
PubChem CID20667423
Molecular FormulaC11H17Ac2N5O2
Molecular Weight705.29 g/mol
Exact Mass705.19
IUPAC Nameactinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol
SMILESNc1ncc2ncn(CCCC(CO)CO)c2n1.[Ac].[Ac]
InChIInChI=1S/C11H17N5O2.2Ac/c12-11-13-4-9-10(15-11)16(7-14-9)3-1-2-8(5-17)6-18;;/h4,7-8,17-18H,1-3,5-6H2,(H2,12,13,15);;
InChIKeyASUYOSURCLRSKA-UHFFFAOYSA-N
XLogP-0.21
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500705.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol?
The IUPAC name of actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol (CID 20667423) is actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol.
What is the SMILES notation for actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol?
The canonical SMILES for actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol is Nc1ncc2ncn(CCCC(CO)CO)c2n1.[Ac].[Ac].
What is the InChIKey of actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol?
The InChIKey is ASUYOSURCLRSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2.2Ac/c12-11-13-4-9-10(15-11)16(7-14-9)3-1-2-8(5-17)6-18;;/h4,7-8,17-18H,1-3,5-6H2,(H2,12,13,15);;.
What are the key properties of actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol?
actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol has a molecular weight of 705.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-[3-(2-aminopurin-9-yl)propyl]propane-1,3-diol is sourced from PubChem (CID 20667423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).