(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol

C15H21N7O3 — CID 70367470

IUPAC(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CCC#CCN)O[C@@]1(N)n1cnc2c(N)ncnc21
InChIInChI=1S/C15H21N7O3/c1-14(24)11(23)9(5-3-2-4-6-16)25-15(14,18)22-8-21-10-12(17)19-7-20-13(10)22/h7-9,11,23-24H,3,5-6,16,18H2,1H3,(H2,17,19,20)/t9-,11-,14-,15+/m1/s1
InChIKeyYHRYVWORNGPCSU-VGKMCQHDSA-N
MW347.38 g/mol
LogP-1.77
Rot. Bonds3

About (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol

(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol (PubChem CID 70367470) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol
PubChem CID70367470
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CCC#CCN)O[C@@]1(N)n1cnc2c(N)ncnc21
InChIInChI=1S/C15H21N7O3/c1-14(24)11(23)9(5-3-2-4-6-16)25-15(14,18)22-8-21-10-12(17)19-7-20-13(10)22/h7-9,11,23-24H,3,5-6,16,18H2,1H3,(H2,17,19,20)/t9-,11-,14-,15+/m1/s1
InChIKeyYHRYVWORNGPCSU-VGKMCQHDSA-N
XLogP-1.77
TPSA171.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-1.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R)-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-2-(methylamino)oxolane-3,4-diol
CID 67761179
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-5-methyloxolan-3-ol
CID 139639688
disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl phosphate
CID 175699079
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167
9-[(3aR,4S,6aR)-6-(aminomethyl)-2,2,4-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 139546886
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
1-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-deuterio-5-[deuterio(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]butane-1-thione
CID 175849152
[(2R,3R,4R,5S)-5-amino-4-(6-aminohexyl)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 175817360
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol (CID 70367470) is (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CCC#CCN)O[C@@]1(N)n1cnc2c(N)ncnc21.
What is the InChIKey of (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol?
The InChIKey is YHRYVWORNGPCSU-VGKMCQHDSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-14(24)11(23)9(5-3-2-4-6-16)25-15(14,18)22-8-21-10-12(17)19-7-20-13(10)22/h7-9,11,23-24H,3,5-6,16,18H2,1H3,(H2,17,19,20)/t9-,11-,14-,15+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol?
(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol has a molecular weight of 347.38 g/mol, XLogP of -1.77, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 70367470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).