(2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol

C8H17NO5 — CID 118797908

IUPAC(2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKeyWMTBOPQJAFKLMD-XUQKIGAKSA-N
MW207.23 g/mol
LogP-2.60
Rot. Bonds3

About (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 118797908) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID118797908
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKeyWMTBOPQJAFKLMD-XUQKIGAKSA-N
XLogP-2.60
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol (CID 118797908) is (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol is CC(O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WMTBOPQJAFKLMD-XUQKIGAKSA-N. The full InChI is InChI=1S/C8H17NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h4-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 207.23 g/mol, XLogP of -2.60, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-5-(1-hydroxyethylamino)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 118797908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).