(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide

C19H20N6O5 — CID 51360247

IUPAC(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H20N6O5/c20-16-12-17(22-6-21-16)25(7-23-12)19-14(28)13(27)15(30-19)18(29)24-11-9-4-2-1-3-8(9)5-10(11)26/h1-4,6-7,10-11,13-15,19,26-28H,5H2,(H,24,29)(H2,20,21,22)/t10-,11+,13+,14-,15+,19-/m1/s1
InChIKeyZOGMAXMIGBTMQR-KKHNSLHASA-N
MW412.41 g/mol
LogP-1.20
Rot. Bonds3

About (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide

(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide (PubChem CID 51360247) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide
PubChem CID51360247
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Name(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H20N6O5/c20-16-12-17(22-6-21-16)25(7-23-12)19-14(28)13(27)15(30-19)18(29)24-11-9-4-2-1-3-8(9)5-10(11)26/h1-4,6-7,10-11,13-15,19,26-28H,5H2,(H,24,29)(H2,20,21,22)/t10-,11+,13+,14-,15+,19-/m1/s1
InChIKeyZOGMAXMIGBTMQR-KKHNSLHASA-N
XLogP-1.20
TPSA168.64 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 688430
5-(6-aminopurin-9-yl)-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
CID 1761
(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 7264462
(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 7068779
(2S,3S,4S,5R,6R)-6-(6-aminopurin-9-yl)-3,4,5-trihydroxyoxane-2-carboxamide
CID 131852589
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethoxy-3,4-dihydroxyoxolane-2-carboxamide
CID 10734748
(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N,N-dimethyloxolane-2-carboxamide
CID 21128963
[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone
CID 46875958
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 72641180
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[3-(ethylcarbamoylamino)propyl]-3,4-dihydroxyoxolane-2-carboxamide
CID 167462165
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-dodecyl-3,4-dihydroxyoxolane-2-carboxamide
CID 10503646
(2S,3S,4R)-5-(6-aminopurin-9-yl)-N-dodecyl-3,4-dihydroxyoxolane-2-carboxamide
CID 46875266

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide (CID 51360247) is (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide is Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide?
The InChIKey is ZOGMAXMIGBTMQR-KKHNSLHASA-N. The full InChI is InChI=1S/C19H20N6O5/c20-16-12-17(22-6-21-16)25(7-23-12)19-14(28)13(27)15(30-19)18(29)24-11-9-4-2-1-3-8(9)5-10(11)26/h1-4,6-7,10-11,13-15,19,26-28H,5H2,(H,24,29)(H2,20,21,22)/t10-,11+,13+,14-,15+,19-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide?
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide has a molecular weight of 412.41 g/mol, XLogP of -1.20, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxolane-2-carboxamide is sourced from PubChem (CID 51360247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).