[(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate

C6H9NO4 — CID 102168687

IUPAC[(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate
SMILESN[C@H]1CO[C@H](C=O)[C@@H]1OC=O
InChIInChI=1S/C6H9NO4/c7-4-2-10-5(1-8)6(4)11-3-9/h1,3-6H,2,7H2/t4-,5+,6+/m0/s1
InChIKeyVVXAPYIXOBNMKI-KVQBGUIXSA-N
MW159.14 g/mol
LogP-1.55
Rot. Bonds3

About [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate

[(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate (PubChem CID 102168687) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate.

Molecular Properties

Compound Name[(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate
PubChem CID102168687
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name[(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate
SMILESN[C@H]1CO[C@H](C=O)[C@@H]1OC=O
InChIInChI=1S/C6H9NO4/c7-4-2-10-5(1-8)6(4)11-3-9/h1,3-6H,2,7H2/t4-,5+,6+/m0/s1
InChIKeyVVXAPYIXOBNMKI-KVQBGUIXSA-N
XLogP-1.55
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate?
The IUPAC name of [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate (CID 102168687) is [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate.
What is the SMILES notation for [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate?
The canonical SMILES for [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate is N[C@H]1CO[C@H](C=O)[C@@H]1OC=O.
What is the InChIKey of [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate?
The InChIKey is VVXAPYIXOBNMKI-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H9NO4/c7-4-2-10-5(1-8)6(4)11-3-9/h1,3-6H,2,7H2/t4-,5+,6+/m0/s1.
What are the key properties of [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate?
[(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate has a molecular weight of 159.14 g/mol, XLogP of -1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-4-amino-2-formyloxolan-3-yl] formate is sourced from PubChem (CID 102168687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).