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

C9H17NO5 — CID 143537967

IUPAC(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@@H](NC2CC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c11-3-5-7(12)8(13)6(9(14)15-5)10-4-1-2-4/h4-14H,1-3H2/t5-,6+,7-,8-,9?/m1/s1
InChIKeyJUESIOADLCQTAQ-NEIVSKJXSA-N
MW219.24 g/mol
LogP-2.46
Rot. Bonds3

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

(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 143537967) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID143537967
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1OC(O)[C@@H](NC2CC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c11-3-5-7(12)8(13)6(9(14)15-5)10-4-1-2-4/h4-14H,1-3H2/t5-,6+,7-,8-,9?/m1/s1
InChIKeyJUESIOADLCQTAQ-NEIVSKJXSA-N
XLogP-2.46
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5S,6R)-3-(hydroxyamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 175358932
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(2R,4R,5S)-3-(chloroamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91580441
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(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
(3R,5S)-3-(ethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70829993
(3S,4R,5R,6R)-6-(hydroxymethyl)-3-(methanidylamino)oxane-2,4,5-triol;sulfanylidenevanadium
CID 58472988
N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 54146447
N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide
CID 162270056

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 143537967) is (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1OC(O)[C@@H](NC2CC2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is JUESIOADLCQTAQ-NEIVSKJXSA-N. The full InChI is InChI=1S/C9H17NO5/c11-3-5-7(12)8(13)6(9(14)15-5)10-4-1-2-4/h4-14H,1-3H2/t5-,6+,7-,8-,9?/m1/s1.
What are the key properties of (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 219.24 g/mol, XLogP of -2.46, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6R)-3-(cyclopropylamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 143537967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).