(3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol

C5H11NO4 — CID 55290830

IUPAC(3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol
SMILESN[C@H]1[C@H](CO)OC(O)[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3-,4+,5?/m0/s1
InChIKeyCKTSPAXEVIBYFI-HWQSCIPKSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds1

About (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol

(3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol (PubChem CID 55290830) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol
PubChem CID55290830
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol
SMILESN[C@H]1[C@H](CO)OC(O)[C@@H]1O
InChIInChI=1S/C5H11NO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3-,4+,5?/m0/s1
InChIKeyCKTSPAXEVIBYFI-HWQSCIPKSA-N
XLogP-2.62
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
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

GlyTouCan:G01511TX
CID 447601
4-Deoxy-4-Amino-Beta-D-Glucose
CID 17753995
GlyTouCan:G29745BP
CID 50990898
4-Amino-4-deoxy-alpha-L-arabinopyranose
CID 17756760
4-amino-4-deoxy-L-arabinopyranose
CID 17756761
3-Amino-3-deoxy-1,2-o-isopropylidene-alpha-D-ribofuranose
CID 21820677
GlyTouCan:G76610FA
CID 45079031
GlyTouCan:G67238BW
CID 91466751
5-Amino-2-methoxy-tetrahydro-pyran-3,4-diol
CID 261949
GlyTouCan:G21522AA
CID 129681108
GlyTouCan:G63728XE
CID 129829680
GlyTouCan:G50397NV
CID 138811180

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
The IUPAC name of (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol (CID 55290830) is (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol.
What is the SMILES notation for (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
The canonical SMILES for (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol is N[C@H]1[C@H](CO)OC(O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
The InChIKey is CKTSPAXEVIBYFI-HWQSCIPKSA-N. The full InChI is InChI=1S/C5H11NO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1,6H2/t2-,3-,4+,5?/m0/s1.
What are the key properties of (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol?
(3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol has a molecular weight of 149.15 g/mol, XLogP of -2.62, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-4-amino-5-(hydroxymethyl)oxolane-2,3-diol is sourced from PubChem (CID 55290830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).