(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C9H15N3O5 — CID 87984432

IUPAC(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1[nH]ncc1NO
InChIInChI=1S/C9H15N3O5/c1-9(15)7(14)5(3-13)17-8(9)6-4(12-16)2-10-11-6/h2,5,7-8,12-16H,3H2,1H3,(H,10,11)/t5-,7-,8+,9-/m1/s1
InChIKeyRUOHPAAKFZENRP-BUJSFMDZSA-N
MW245.23 g/mol
LogP-1.25
Rot. Bonds3

About (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 87984432) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID87984432
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1[nH]ncc1NO
InChIInChI=1S/C9H15N3O5/c1-9(15)7(14)5(3-13)17-8(9)6-4(12-16)2-10-11-6/h2,5,7-8,12-16H,3H2,1H3,(H,10,11)/t5-,7-,8+,9-/m1/s1
InChIKeyRUOHPAAKFZENRP-BUJSFMDZSA-N
XLogP-1.25
TPSA130.86 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 87984432) is (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1[nH]ncc1NO.
What is the InChIKey of (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is RUOHPAAKFZENRP-BUJSFMDZSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-9(15)7(14)5(3-13)17-8(9)6-4(12-16)2-10-11-6/h2,5,7-8,12-16H,3H2,1H3,(H,10,11)/t5-,7-,8+,9-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 245.23 g/mol, XLogP of -1.25, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-[4-(hydroxyamino)-1H-pyrazol-5-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 87984432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).