(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol

C7H15NO4 — CID 130834784

IUPAC(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol
SMILESCN[C@H]1C(O)O[C@@H]([C@@H](C)O)[C@@H]1O
InChIInChI=1S/C7H15NO4/c1-3(9)6-5(10)4(8-2)7(11)12-6/h3-11H,1-2H3/t3-,4-,5-,6+,7?/m1/s1
InChIKeyGSKYRCHIKDBGLR-QTSLKERKSA-N
MW177.20 g/mol
LogP-1.97
Rot. Bonds2

About (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol

(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol (PubChem CID 130834784) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol
PubChem CID130834784
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol
SMILESCN[C@H]1C(O)O[C@@H]([C@@H](C)O)[C@@H]1O
InChIInChI=1S/C7H15NO4/c1-3(9)6-5(10)4(8-2)7(11)12-6/h3-11H,1-2H3/t3-,4-,5-,6+,7?/m1/s1
InChIKeyGSKYRCHIKDBGLR-QTSLKERKSA-N
XLogP-1.97
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
[(2S,3R,4S,5R)-2,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-3-yl] acetate
CID 91845036
5-amino-3-(methylamino)oxolane-2,4-diol
CID 123760339
N-[(2R,3R,4R,5S,6S)-6-[(R)-amino(hydroxy)methyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
CID 154702648
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(2S,3R,4S,5S)-5-[(1R)-1-hydroxyethyl]-2,4-dimethyloxolan-3-ol
CID 145143880
(3aR,4S,6S,6aR)-6-[(1S)-1-hydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 102062375
6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 123282538
2-hydroxy-2-[(2S,3S,4R,5R)-3,4,6-trihydroxy-5-(methylamino)oxan-2-yl]ethenone
CID 176521588

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol?
The IUPAC name of (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol (CID 130834784) is (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol?
The canonical SMILES for (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol is CN[C@H]1C(O)O[C@@H]([C@@H](C)O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol?
The InChIKey is GSKYRCHIKDBGLR-QTSLKERKSA-N. The full InChI is InChI=1S/C7H15NO4/c1-3(9)6-5(10)4(8-2)7(11)12-6/h3-11H,1-2H3/t3-,4-,5-,6+,7?/m1/s1.
What are the key properties of (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol?
(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol has a molecular weight of 177.20 g/mol, XLogP of -1.97, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol is sourced from PubChem (CID 130834784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).