N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide

C6H11NO5 — CID 123463929

IUPACN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
SMILESO=CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11NO5/c8-1-3-4(10)5(11)6(12-3)7-2-9/h2-6,8,10-11H,1H2,(H,7,9)/t3-,4-,5-,6-/m1/s1
InChIKeyGPHVJXKMKBHOAS-KVTDHHQDSA-N
MW177.16 g/mol
LogP-2.83
Rot. Bonds3

About N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide

N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide (PubChem CID 123463929) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
PubChem CID123463929
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC NameN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
SMILESO=CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11NO5/c8-1-3-4(10)5(11)6(12-3)7-2-9/h2-6,8,10-11H,1H2,(H,7,9)/t3-,4-,5-,6-/m1/s1
InChIKeyGPHVJXKMKBHOAS-KVTDHHQDSA-N
XLogP-2.83
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.83
H-Bond Donors ≤ 54
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 N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
The IUPAC name of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide (CID 123463929) is N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide.
What is the SMILES notation for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
The canonical SMILES for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide is O=CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
The InChIKey is GPHVJXKMKBHOAS-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H11NO5/c8-1-3-4(10)5(11)6(12-3)7-2-9/h2-6,8,10-11H,1H2,(H,7,9)/t3-,4-,5-,6-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide has a molecular weight of 177.16 g/mol, XLogP of -2.83, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide is sourced from PubChem (CID 123463929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).