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

C6H13NO6 — CID 57265207

IUPAC(2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
SMILESN[C@@]1(O)[C@@H]([C@H](O)CO)O[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO6/c7-6(12)3(10)5(11)13-4(6)2(9)1-8/h2-5,8-12H,1,7H2/t2-,3+,4-,5+,6+/m1/s1
InChIKeyLUIVYEVVUDNVCH-RDQKPOQOSA-N
MW195.17 g/mol
LogP-3.93
Rot. Bonds2

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

(2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol (PubChem CID 57265207) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
PubChem CID57265207
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
SMILESN[C@@]1(O)[C@@H]([C@H](O)CO)O[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO6/c7-6(12)3(10)5(11)13-4(6)2(9)1-8/h2-5,8-12H,1,7H2/t2-,3+,4-,5+,6+/m1/s1
InChIKeyLUIVYEVVUDNVCH-RDQKPOQOSA-N
XLogP-3.93
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Related Compounds

(3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 54053132
(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 174840135
(2S,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,4-dihydroxy-2-methylbutyl]oxolane-2,3,4-triol
CID 10802818
[(2R,3R,4R,5S)-2-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxolan-3-yl]-phenylmethanone
CID 174840639
(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol
CID 130917800
(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one
CID 171620318
(3R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3-diol
CID 101290230
(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175530729
(2S,3R,4R,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 134823873
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol (CID 57265207) is (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol is N[C@@]1(O)[C@@H]([C@H](O)CO)O[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is LUIVYEVVUDNVCH-RDQKPOQOSA-N. The full InChI is InChI=1S/C6H13NO6/c7-6(12)3(10)5(11)13-4(6)2(9)1-8/h2-5,8-12H,1,7H2/t2-,3+,4-,5+,6+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol?
(2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 195.17 g/mol, XLogP of -3.93, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 57265207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).