(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol

C5H9N3O5 — CID 142746760

IUPAC(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC(O)[C@H]1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H9N3O5/c6-8-7-4(11)3-1(9)2(10)5(12)13-3/h1-5,9-12H/t1-,2-,3-,4?,5?/m0/s1
InChIKeyHSOUSBKRUWXFQB-IQJZEPRVSA-N
MW191.14 g/mol
LogP-1.95
Rot. Bonds2

About (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol

(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol (PubChem CID 142746760) has the molecular formula C5H9N3O5 and a molecular weight of 191.14 g/mol. Its IUPAC name is (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol
PubChem CID142746760
Molecular FormulaC5H9N3O5
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol
SMILES[N-]=[N+]=NC(O)[C@H]1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H9N3O5/c6-8-7-4(11)3-1(9)2(10)5(12)13-3/h1-5,9-12H/t1-,2-,3-,4?,5?/m0/s1
InChIKeyHSOUSBKRUWXFQB-IQJZEPRVSA-N
XLogP-1.95
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol?
The IUPAC name of (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol (CID 142746760) is (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol.
What is the SMILES notation for (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol?
The canonical SMILES for (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol is [N-]=[N+]=NC(O)[C@H]1OC(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol?
The InChIKey is HSOUSBKRUWXFQB-IQJZEPRVSA-N. The full InChI is InChI=1S/C5H9N3O5/c6-8-7-4(11)3-1(9)2(10)5(12)13-3/h1-5,9-12H/t1-,2-,3-,4?,5?/m0/s1.
What are the key properties of (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol?
(3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol has a molecular weight of 191.14 g/mol, XLogP of -1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-[azido(hydroxy)methyl]oxolane-2,3,4-triol is sourced from PubChem (CID 142746760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).