(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde

C11H20O7 — CID 25113108

IUPAC(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde
SMILESCCCO[C@]1(C=O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C11H20O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h6-10,12,14-16H,2-5H2,1H3/t7-,8-,9-,10-,11-/m1/s1
InChIKeyIBFZNVSFIROBGB-ISUQUUIWSA-N
MW264.27 g/mol
LogP-1.83
Rot. Bonds6

About (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde

(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde (PubChem CID 25113108) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde
PubChem CID25113108
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde
SMILESCCCO[C@]1(C=O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C11H20O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h6-10,12,14-16H,2-5H2,1H3/t7-,8-,9-,10-,11-/m1/s1
InChIKeyIBFZNVSFIROBGB-ISUQUUIWSA-N
XLogP-1.83
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde?
The IUPAC name of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde (CID 25113108) is (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde.
What is the SMILES notation for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde?
The canonical SMILES for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde is CCCO[C@]1(C=O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1.
What is the InChIKey of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde?
The InChIKey is IBFZNVSFIROBGB-ISUQUUIWSA-N. The full InChI is InChI=1S/C11H20O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h6-10,12,14-16H,2-5H2,1H3/t7-,8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde?
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde has a molecular weight of 264.27 g/mol, XLogP of -1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-propoxyoxane-2-carbaldehyde is sourced from PubChem (CID 25113108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).