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

C8H17NO5 — CID 70829993

IUPAC(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCN[C@H]1C(O)OC(CO)[C@@H](O)C1O
InChIInChI=1S/C8H17NO5/c1-2-9-5-7(12)6(11)4(3-10)14-8(5)13/h4-13H,2-3H2,1H3/t4?,5-,6-,7?,8?/m1/s1
InChIKeyCBPKXFJDLCLUHE-DMIPUTKBSA-N
MW207.23 g/mol
LogP-2.60
Rot. Bonds3

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

(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 70829993) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID70829993
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCN[C@H]1C(O)OC(CO)[C@@H](O)C1O
InChIInChI=1S/C8H17NO5/c1-2-9-5-7(12)6(11)4(3-10)14-8(5)13/h4-13H,2-3H2,1H3/t4?,5-,6-,7?,8?/m1/s1
InChIKeyCBPKXFJDLCLUHE-DMIPUTKBSA-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

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

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Related Compounds

(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(propylamino)oxane-2,4,5-triol
CID 57353518
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(3R,4R,5R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 126608918
(3R,4R,5R,6R)-3-(aminomethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58606874
(2R,4R,5S)-3-(chloroamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91580441
(3R,4R,5S,6R)-3-(hexylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974837
(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(4R,5S)-3-(butan-2-ylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130198667
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 70829993) is (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is CCN[C@H]1C(O)OC(CO)[C@@H](O)C1O.
What is the InChIKey of (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is CBPKXFJDLCLUHE-DMIPUTKBSA-N. The full InChI is InChI=1S/C8H17NO5/c1-2-9-5-7(12)6(11)4(3-10)14-8(5)13/h4-13H,2-3H2,1H3/t4?,5-,6-,7?,8?/m1/s1.
What are the key properties of (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol 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 (3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 70829993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).