(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol

C13H18N4O5 — CID 59859715

IUPAC(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CCO)O[C@H]1c1coc2c(NN)ncnc12
InChIInChI=1S/C13H18N4O5/c1-13(20)10(19)7(2-3-18)22-11(13)6-4-21-9-8(6)15-5-16-12(9)17-14/h4-5,7,10-11,18-20H,2-3,14H2,1H3,(H,15,16,17)/t7-,10-,11+,13-/m1/s1
InChIKeyRTJCBMYEUISXKL-DRYIUFOISA-N
MW310.31 g/mol
LogP-0.56
Rot. Bonds4

About (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol

(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol (PubChem CID 59859715) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
PubChem CID59859715
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Name(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CCO)O[C@H]1c1coc2c(NN)ncnc12
InChIInChI=1S/C13H18N4O5/c1-13(20)10(19)7(2-3-18)22-11(13)6-4-21-9-8(6)15-5-16-12(9)17-14/h4-5,7,10-11,18-20H,2-3,14H2,1H3,(H,15,16,17)/t7-,10-,11+,13-/m1/s1
InChIKeyRTJCBMYEUISXKL-DRYIUFOISA-N
XLogP-0.56
TPSA146.89 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(methoxymethyl)-3-methyloxolane-3,4-diol
CID 71048291
[(3aS,4S,6R,6aR)-4-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2,3a-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 58091476
(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 143157481
(2S,3R,4S,5R)-2-[4-(2-hydroxyethylamino)furo[3,2-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11952930
S-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 11679069
[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-methoxy-3-methyl-1-oxobutan-2-yl)-phenoxyamino]-oxophosphanium
CID 87085793
[(2S,5R)-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methanol
CID 71017914
O-[2-[[5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-ethylphosphoryl]-2-[1-(dihydroxy-λ4-sulfanylidene)-2,2-dimethylpropoxy]ethyl] 2,2-dimethylpropanethioate
CID 173003296
(2R,3R,4R,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 5273501
2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14886755
amino-[[9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]amino]phosphinic acid
CID 5273514
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol (CID 59859715) is (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CCO)O[C@H]1c1coc2c(NN)ncnc12.
What is the InChIKey of (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol?
The InChIKey is RTJCBMYEUISXKL-DRYIUFOISA-N. The full InChI is InChI=1S/C13H18N4O5/c1-13(20)10(19)7(2-3-18)22-11(13)6-4-21-9-8(6)15-5-16-12(9)17-14/h4-5,7,10-11,18-20H,2-3,14H2,1H3,(H,15,16,17)/t7-,10-,11+,13-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol?
(2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol has a molecular weight of 310.31 g/mol, XLogP of -0.56, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(4-hydrazinylfuro[3,2-d]pyrimidin-7-yl)-5-(2-hydroxyethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 59859715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).