N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide

C6H11NO4 — CID 58621937

IUPACN-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
SMILESO=CN[C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H11NO4/c8-2-5-4(10)1-6(11-5)7-3-9/h3-6,8,10H,1-2H2,(H,7,9)/t4-,5-,6-/m1/s1
InChIKeyXMKVMFPSKVZMDZ-HSUXUTPPSA-N
MW161.16 g/mol
LogP-1.80
Rot. Bonds3

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

N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide (PubChem CID 58621937) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
PubChem CID58621937
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC NameN-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
SMILESO=CN[C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H11NO4/c8-2-5-4(10)1-6(11-5)7-3-9/h3-6,8,10H,1-2H2,(H,7,9)/t4-,5-,6-/m1/s1
InChIKeyXMKVMFPSKVZMDZ-HSUXUTPPSA-N
XLogP-1.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide
CID 88554016
(2R,3S,5S)-5-[4-[4-[[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]anilino]-2-(hydroxymethyl)oxolan-3-ol
CID 98246477
(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
CID 1126499
N-[4-amino-6-[[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-5-yl]formamide
CID 101170283
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
2-(hydroxymethyl)-5-sulfanyloxolan-3-ol
CID 123868889

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
The IUPAC name of N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide (CID 58621937) is N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide.
What is the SMILES notation for N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
The canonical SMILES for N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide is O=CN[C@H]1C[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
The InChIKey is XMKVMFPSKVZMDZ-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-5-4(10)1-6(11-5)7-3-9/h3-6,8,10H,1-2H2,(H,7,9)/t4-,5-,6-/m1/s1.
What are the key properties of N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide?
N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide has a molecular weight of 161.16 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide is sourced from PubChem (CID 58621937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).