(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol

C10H21NO5 — CID 51870558

IUPAC(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCN(CC)[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O
InChIInChI=1S/C10H21NO5/c1-3-11(4-2)7-9(14)8(13)6(5-12)16-10(7)15/h6-10,12-15H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/m0/s1
InChIKeyVSGUHCPVHLVYBW-MBXMOIHESA-N
MW235.28 g/mol
LogP-1.87
Rot. Bonds4

About (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol

(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 51870558) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID51870558
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCN(CC)[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O
InChIInChI=1S/C10H21NO5/c1-3-11(4-2)7-9(14)8(13)6(5-12)16-10(7)15/h6-10,12-15H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/m0/s1
InChIKeyVSGUHCPVHLVYBW-MBXMOIHESA-N
XLogP-1.87
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5S,6R)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 124748068
(2S,3S,4S,5R,6S)-3-[bis(2-sulfanylethyl)amino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162898599
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 51870558) is (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is CCN(CC)[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is VSGUHCPVHLVYBW-MBXMOIHESA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-11(4-2)7-9(14)8(13)6(5-12)16-10(7)15/h6-10,12-15H,3-5H2,1-2H3/t6-,7+,8+,9-,10-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 235.28 g/mol, XLogP of -1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6S)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 51870558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).