6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid

C14H24O9 — CID 177228854

IUPAC6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid
SMILESCCO[C@@H]1CC(O)[C@H](O)[C@@H](COC2CC(O)CC(C(=O)O)O2)O1
InChIInChI=1S/C14H24O9/c1-2-20-12-5-8(16)13(17)10(23-12)6-21-11-4-7(15)3-9(22-11)14(18)19/h7-13,15-17H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10-,11?,12+,13+/m1/s1
InChIKeyBXKMBMGDNWIZLM-XDMWWPSVSA-N
MW336.34 g/mol
LogP-1.17
Rot. Bonds6

About 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid

6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid (PubChem CID 177228854) has the molecular formula C14H24O9 and a molecular weight of 336.34 g/mol. Its IUPAC name is 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid
PubChem CID177228854
Molecular FormulaC14H24O9
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid
SMILESCCO[C@@H]1CC(O)[C@H](O)[C@@H](COC2CC(O)CC(C(=O)O)O2)O1
InChIInChI=1S/C14H24O9/c1-2-20-12-5-8(16)13(17)10(23-12)6-21-11-4-7(15)3-9(22-11)14(18)19/h7-13,15-17H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10-,11?,12+,13+/m1/s1
InChIKeyBXKMBMGDNWIZLM-XDMWWPSVSA-N
XLogP-1.17
TPSA134.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid?
The IUPAC name of 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid (CID 177228854) is 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid?
The canonical SMILES for 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid is CCO[C@@H]1CC(O)[C@H](O)[C@@H](COC2CC(O)CC(C(=O)O)O2)O1.
What is the InChIKey of 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid?
The InChIKey is BXKMBMGDNWIZLM-XDMWWPSVSA-N. The full InChI is InChI=1S/C14H24O9/c1-2-20-12-5-8(16)13(17)10(23-12)6-21-11-4-7(15)3-9(22-11)14(18)19/h7-13,15-17H,2-6H2,1H3,(H,18,19)/t7?,8?,9?,10-,11?,12+,13+/m1/s1.
What are the key properties of 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid?
6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid has a molecular weight of 336.34 g/mol, XLogP of -1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S,6S)-6-ethoxy-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 177228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).