(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

C6H13NO5 — CID 101201136

IUPAC(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILESN[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO5/c7-6-4(11)3(10)5(12-6)2(9)1-8/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeyDXIRFVMRFPWWQK-UKFBFLRUSA-N
MW179.17 g/mol
LogP-3.26
Rot. Bonds2

About (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol

(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol (PubChem CID 101201136) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
PubChem CID101201136
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
SMILESN[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO5/c7-6-4(11)3(10)5(12-6)2(9)1-8/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeyDXIRFVMRFPWWQK-UKFBFLRUSA-N
XLogP-3.26
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol with MolForge

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Related Compounds

(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2S,3R,4R,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 134823873
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol (CID 101201136) is (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol is N[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
The InChIKey is DXIRFVMRFPWWQK-UKFBFLRUSA-N. The full InChI is InChI=1S/C6H13NO5/c7-6-4(11)3(10)5(12-6)2(9)1-8/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol?
(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol has a molecular weight of 179.17 g/mol, XLogP of -3.26, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 101201136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).