(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one

C5H7NO4 — CID 90469706

IUPAC(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
SMILESNC1=C(O)[C@@H](CO)OC1=O
InChIInChI=1S/C5H7NO4/c6-3-4(8)2(1-7)10-5(3)9/h2,7-8H,1,6H2/t2-/m1/s1
InChIKeyYQVULIINUSFDQQ-UWTATZPHSA-N
MW145.11 g/mol
LogP-1.37
Rot. Bonds1

About (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one

(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 90469706) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID90469706
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
SMILESNC1=C(O)[C@@H](CO)OC1=O
InChIInChI=1S/C5H7NO4/c6-3-4(8)2(1-7)10-5(3)9/h2,7-8H,1,6H2/t2-/m1/s1
InChIKeyYQVULIINUSFDQQ-UWTATZPHSA-N
XLogP-1.37
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one (CID 90469706) is (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one is NC1=C(O)[C@@H](CO)OC1=O.
What is the InChIKey of (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is YQVULIINUSFDQQ-UWTATZPHSA-N. The full InChI is InChI=1S/C5H7NO4/c6-3-4(8)2(1-7)10-5(3)9/h2,7-8H,1,6H2/t2-/m1/s1.
What are the key properties of (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 145.11 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 90469706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).