(2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol

C14H23N7O3 — CID 46875755

IUPAC(2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
SMILESNCCC(CN)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H23N7O3/c15-2-1-7(4-16)3-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-4,15-16H2,(H2,17,18,19)/t7?,8-,10-,11-,14?/m1/s1
InChIKeyYVLOEXFTJQNMJF-VVLOMEKLSA-N
MW337.38 g/mol
LogP-1.66
Rot. Bonds6

About (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol

(2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol (PubChem CID 46875755) has the molecular formula C14H23N7O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
PubChem CID46875755
Molecular FormulaC14H23N7O3
Molecular Weight337.38 g/mol
Exact Mass337.19
IUPAC Name(2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
SMILESNCCC(CN)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H23N7O3/c15-2-1-7(4-16)3-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-4,15-16H2,(H2,17,18,19)/t7?,8-,10-,11-,14?/m1/s1
InChIKeyYVLOEXFTJQNMJF-VVLOMEKLSA-N
XLogP-1.66
TPSA171.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(bromomethyl)oxolane-3,4-diol
CID 15024543
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
CID 59738174
CID 59738174

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol (CID 46875755) is (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol is NCCC(CN)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
The InChIKey is YVLOEXFTJQNMJF-VVLOMEKLSA-N. The full InChI is InChI=1S/C14H23N7O3/c15-2-1-7(4-16)3-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-4,15-16H2,(H2,17,18,19)/t7?,8-,10-,11-,14?/m1/s1.
What are the key properties of (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol has a molecular weight of 337.38 g/mol, XLogP of -1.66, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-[4-amino-2-(aminomethyl)butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 46875755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).