(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol

C5H11NO4 — CID 93493392

IUPAC(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol
SMILESN[C@H]1[C@H](O)[C@@H](O)OC[C@H]1O
InChIInChI=1S/C5H11NO4/c6-3-2(7)1-10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3-,4+,5+/m1/s1
InChIKeyRWBZBZPUFHHHCU-MBMOQRBOSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds

About (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol

(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol (PubChem CID 93493392) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol
PubChem CID93493392
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol
SMILESN[C@H]1[C@H](O)[C@@H](O)OC[C@H]1O
InChIInChI=1S/C5H11NO4/c6-3-2(7)1-10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3-,4+,5+/m1/s1
InChIKeyRWBZBZPUFHHHCU-MBMOQRBOSA-N
XLogP-2.62
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5R)-4-aminooxane-2,3,5-triol
CID 131196002
(2S,3R,4S,5R)-3-aminooxane-2,4,5-triol
CID 55289046
(2S,3S,4S,5R)-3-aminooxane-2,4,5-triol
CID 130792637
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(3R,4R)-2-aminooxolane-3,4-diol
CID 139898598
(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
CID 162991407
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 154641569
4-(dimethylamino)oxane-2,3,5-triol
CID 123166220
(3R,4S,5S,6R)-3-[(2S,3R,4S,5R)-4-amino-3,5-dihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 91861848

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol?
The IUPAC name of (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol (CID 93493392) is (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol.
What is the SMILES notation for (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol?
The canonical SMILES for (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol is N[C@H]1[C@H](O)[C@@H](O)OC[C@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol?
The InChIKey is RWBZBZPUFHHHCU-MBMOQRBOSA-N. The full InChI is InChI=1S/C5H11NO4/c6-3-2(7)1-10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3-,4+,5+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol?
(2S,3S,4R,5S)-4-aminooxane-2,3,5-triol has a molecular weight of 149.15 g/mol, XLogP of -2.62, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-4-aminooxane-2,3,5-triol is sourced from PubChem (CID 93493392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).