[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate

C20H31N3O5 — CID 167252679

IUPAC[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate
SMILESCCCCCCCCCCC(=O)OCC1=C[C@@H](O)[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C20H31N3O5/c1-2-3-4-5-6-7-8-9-10-18(25)27-14-15-13-16(24)19(28-15)23-12-11-17(21)22-20(23)26/h11-13,16,19,24H,2-10,14H2,1H3,(H2,21,22,26)/t16-,19-/m1/s1
InChIKeyJNJQRLSEKGWJLR-VQIMIIECSA-N
MW393.48 g/mol
LogP2.67
Rot. Bonds12

About [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate

[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate (PubChem CID 167252679) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate.

Molecular Properties

Compound Name[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate
PubChem CID167252679
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate
SMILESCCCCCCCCCCC(=O)OCC1=C[C@@H](O)[C@H](n2ccc(N)nc2=O)O1
InChIInChI=1S/C20H31N3O5/c1-2-3-4-5-6-7-8-9-10-18(25)27-14-15-13-16(24)19(28-15)23-12-11-17(21)22-20(23)26/h11-13,16,19,24H,2-10,14H2,1H3,(H2,21,22,26)/t16-,19-/m1/s1
InChIKeyJNJQRLSEKGWJLR-VQIMIIECSA-N
XLogP2.67
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate with MolForge

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Related Compounds

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hexanoyloxy-4-hydroxyoxolan-2-yl]methyl hexanoate
CID 90678021
[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] docosanoate
CID 21489997
[(3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-octanoyloxyoxolan-2-yl]methyl octanoate
CID 58756499
[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methyl dodecanoate
CID 91164754
S-[2-[[(3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 166164269
[5-(4-amino-2-oxopyrimidin-1-yl)-3-octanoyloxyoxolan-2-yl]methyl octanoate
CID 142834334
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl (E)-heptadec-8-enoate
CID 71465247
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 12-ethylsulfanyldodecanoate
CID 46945684
[4-(4-amino-2-oxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pentanoate
CID 143836525
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methyl pentanoate
CID 175678131
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 10-hydroxy-9-oxodecanoate
CID 58492713
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-aminobutanoate
CID 59612645

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate?
The IUPAC name of [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate (CID 167252679) is [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate.
What is the SMILES notation for [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate?
The canonical SMILES for [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate is CCCCCCCCCCC(=O)OCC1=C[C@@H](O)[C@H](n2ccc(N)nc2=O)O1.
What is the InChIKey of [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate?
The InChIKey is JNJQRLSEKGWJLR-VQIMIIECSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-2-3-4-5-6-7-8-9-10-18(25)27-14-15-13-16(24)19(28-15)23-12-11-17(21)22-20(23)26/h11-13,16,19,24H,2-10,14H2,1H3,(H2,21,22,26)/t16-,19-/m1/s1.
What are the key properties of [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate?
[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate has a molecular weight of 393.48 g/mol, XLogP of 2.67, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methyl undecanoate is sourced from PubChem (CID 167252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).