(2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol

C8H17NO5 — CID 146312396

IUPAC(2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol
SMILESCNC[C@@]1(O)O[C@H](CCO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO5/c1-9-4-8(13)7(12)6(11)5(14-8)2-3-10/h5-7,9-13H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyLNMVTWRVUYBNJA-OOJXKGFFSA-N
MW207.23 g/mol
LogP-2.60
Rot. Bonds4

About (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol

(2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol (PubChem CID 146312396) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol
PubChem CID146312396
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol
SMILESCNC[C@@]1(O)O[C@H](CCO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO5/c1-9-4-8(13)7(12)6(11)5(14-8)2-3-10/h5-7,9-13H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyLNMVTWRVUYBNJA-OOJXKGFFSA-N
XLogP-2.60
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
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

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Related Compounds

(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(3S,4S,5S)-5-[(2-hydroxyethylamino)methyl]-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 170042168
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
CID 131086029
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
(2S)-3-hydroxy-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]butanoic acid
CID 131752246
(3R,4S,5R)-2-(3-deuteriopropyl)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 141035532
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S)-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]pentanedioic acid
CID 101039149
(3R,4S,5R)-2-(hydroxymethyl)-5-[(propan-2-ylideneamino)oxymethyl]oxolane-2,3,4-triol
CID 150541808
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol (CID 146312396) is (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol is CNC[C@@]1(O)O[C@H](CCO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol?
The InChIKey is LNMVTWRVUYBNJA-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H17NO5/c1-9-4-8(13)7(12)6(11)5(14-8)2-3-10/h5-7,9-13H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol?
(2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol has a molecular weight of 207.23 g/mol, XLogP of -2.60, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-5-(2-hydroxyethyl)-2-(methylaminomethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 146312396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).