(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol

C5H11NO4 — CID 89194762

IUPAC(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
SMILESNC[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C5H11NO4/c6-1-2-3(7)4(8)5(9)10-2/h2-5,7-9H,1,6H2/t2-,3?,4?,5-/m1/s1
InChIKeyNKRSULMKNYDBPT-OGJMQGSBSA-N
MW149.15 g/mol
LogP-2.62
Rot. Bonds1

About (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol

(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol (PubChem CID 89194762) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
PubChem CID89194762
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
SMILESNC[C@H]1O[C@@H](O)C(O)C1O
InChIInChI=1S/C5H11NO4/c6-1-2-3(7)4(8)5(9)10-2/h2-5,7-9H,1,6H2/t2-,3?,4?,5-/m1/s1
InChIKeyNKRSULMKNYDBPT-OGJMQGSBSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol (CID 89194762) is (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol is NC[C@H]1O[C@@H](O)C(O)C1O.
What is the InChIKey of (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol?
The InChIKey is NKRSULMKNYDBPT-OGJMQGSBSA-N. The full InChI is InChI=1S/C5H11NO4/c6-1-2-3(7)4(8)5(9)10-2/h2-5,7-9H,1,6H2/t2-,3?,4?,5-/m1/s1.
What are the key properties of (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol?
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol 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 (2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 89194762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).