3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate

C10H18O8 — CID 89211540

IUPAC3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate
SMILES[2H]C(=O)OCCCO[C@H]1O[C@H](CO)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O8/c11-4-6-7(13)8(14)9(15)10(18-6)17-3-1-2-16-5-12/h5-11,13-15H,1-4H2/t6-,7?,8+,9-,10+/m1/s1/i5D
InChIKeyWEWMCIRHFDVOIE-JTHHGKHGSA-N
MW267.25 g/mol
LogP-2.63
Rot. Bonds6

About 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate

3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate (PubChem CID 89211540) has the molecular formula C10H18O8 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate.

Molecular Properties

Compound Name3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate
PubChem CID89211540
Molecular FormulaC10H18O8
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate
SMILES[2H]C(=O)OCCCO[C@H]1O[C@H](CO)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O8/c11-4-6-7(13)8(14)9(15)10(18-6)17-3-1-2-16-5-12/h5-11,13-15H,1-4H2/t6-,7?,8+,9-,10+/m1/s1/i5D
InChIKeyWEWMCIRHFDVOIE-JTHHGKHGSA-N
XLogP-2.63
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-deuterio-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
CID 140976420
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 70273203
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 53469479
2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetaldehyde
CID 102054484
(2S,3R,4R,5R,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14393381
(3S,4S,6S)-2-(hydroxymethyl)-6-(3-sulfanylpropoxy)oxane-3,4,5-triol
CID 118909583
4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
CID 54212773
4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
CID 118348546
(3R,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18602519
(2S,3S,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137348722
(2R,3S,4S,5S,6R)-2-(4-aminobutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66764747
5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanethial
CID 87574823

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate?
The IUPAC name of 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate (CID 89211540) is 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate.
What is the SMILES notation for 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate?
The canonical SMILES for 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate is [2H]C(=O)OCCCO[C@H]1O[C@H](CO)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate?
The InChIKey is WEWMCIRHFDVOIE-JTHHGKHGSA-N. The full InChI is InChI=1S/C10H18O8/c11-4-6-7(13)8(14)9(15)10(18-6)17-3-1-2-16-5-12/h5-11,13-15H,1-4H2/t6-,7?,8+,9-,10+/m1/s1/i5D.
What are the key properties of 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate?
3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate has a molecular weight of 267.25 g/mol, XLogP of -2.63, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl deuterioformate is sourced from PubChem (CID 89211540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).