N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide

C7H13NO5 — CID 122466966

IUPACN-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
SMILESO=CN[C@@H]1COC(CO)[C@@H](O)C1O
InChIInChI=1S/C7H13NO5/c9-1-5-7(12)6(11)4(2-13-5)8-3-10/h3-7,9,11-12H,1-2H2,(H,8,10)/t4-,5?,6?,7-/m1/s1
InChIKeyXALYHOWIVUALIP-WMXYBCMPSA-N
MW191.18 g/mol
LogP-2.79
Rot. Bonds3

About N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide

N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide (PubChem CID 122466966) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide.

Molecular Properties

Compound NameN-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
PubChem CID122466966
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC NameN-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
SMILESO=CN[C@@H]1COC(CO)[C@@H](O)C1O
InChIInChI=1S/C7H13NO5/c9-1-5-7(12)6(11)4(2-13-5)8-3-10/h3-7,9,11-12H,1-2H2,(H,8,10)/t4-,5?,6?,7-/m1/s1
InChIKeyXALYHOWIVUALIP-WMXYBCMPSA-N
XLogP-2.79
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.79
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-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide?
The IUPAC name of N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide (CID 122466966) is N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide.
What is the SMILES notation for N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide?
The canonical SMILES for N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide is O=CN[C@@H]1COC(CO)[C@@H](O)C1O.
What is the InChIKey of N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide?
The InChIKey is XALYHOWIVUALIP-WMXYBCMPSA-N. The full InChI is InChI=1S/C7H13NO5/c9-1-5-7(12)6(11)4(2-13-5)8-3-10/h3-7,9,11-12H,1-2H2,(H,8,10)/t4-,5?,6?,7-/m1/s1.
What are the key properties of N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide?
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide has a molecular weight of 191.18 g/mol, XLogP of -2.79, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide is sourced from PubChem (CID 122466966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).