(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde

C5H8O4 — CID 130965097

IUPAC(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde
SMILESO=C[C@@H]1OCO[C@@H]1CO
InChIInChI=1S/C5H8O4/c6-1-4-5(2-7)9-3-8-4/h1,4-5,7H,2-3H2/t4-,5+/m0/s1
InChIKeyBQJXAPUKOXECKB-CRCLSJGQSA-N
MW132.12 g/mol
LogP-1.08
Rot. Bonds2

About (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde

(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde (PubChem CID 130965097) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde
PubChem CID130965097
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde
SMILESO=C[C@@H]1OCO[C@@H]1CO
InChIInChI=1S/C5H8O4/c6-1-4-5(2-7)9-3-8-4/h1,4-5,7H,2-3H2/t4-,5+/m0/s1
InChIKeyBQJXAPUKOXECKB-CRCLSJGQSA-N
XLogP-1.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
CID 163521645
(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde
CID 130946810
(5-but-2-ynyl-1,3-dioxolan-4-yl)methanol
CID 130150820
(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
CID 165359373
1,4-dioxane-2,3-dicarbaldehyde
CID 150021643
(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11147869
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 131057194
[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 130978557
(1S,3S,5S,6S,8R,10R,11S,13R,15R,16S,18S,20S,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-5,20-dicarbaldehyde
CID 10328865
(1S,3R,5R,6S,8S,10S,11S,13R,15S,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37S,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48S,49S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-10-carbaldehyde
CID 21458016

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde (CID 130965097) is (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde is O=C[C@@H]1OCO[C@@H]1CO.
What is the InChIKey of (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde?
The InChIKey is BQJXAPUKOXECKB-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H8O4/c6-1-4-5(2-7)9-3-8-4/h1,4-5,7H,2-3H2/t4-,5+/m0/s1.
What are the key properties of (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde has a molecular weight of 132.12 g/mol, XLogP of -1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(hydroxymethyl)-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 130965097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).