2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid

C10H16O10 — CID 171369915

IUPAC2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OCC(=O)O
InChIInChI=1S/C10H16O10/c11-1-4-7(16)8(18-2-5(12)13)9(10(17)20-4)19-3-6(14)15/h4,7-11,16-17H,1-3H2,(H,12,13)(H,14,15)/t4-,7-,8+,9-,10?/m1/s1
InChIKeyANSSVALSMIXMQD-LIPFMBKLSA-N
MW296.23 g/mol
LogP-3.00
Rot. Bonds7

About 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid

2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid (PubChem CID 171369915) has the molecular formula C10H16O10 and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
PubChem CID171369915
Molecular FormulaC10H16O10
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC Name2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OCC(=O)O
InChIInChI=1S/C10H16O10/c11-1-4-7(16)8(18-2-5(12)13)9(10(17)20-4)19-3-6(14)15/h4,7-11,16-17H,1-3H2,(H,12,13)(H,14,15)/t4-,7-,8+,9-,10?/m1/s1
InChIKeyANSSVALSMIXMQD-LIPFMBKLSA-N
XLogP-3.00
TPSA162.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 5-3.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid with MolForge

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Related Compounds

2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid
CID 22880301
2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 140878022
2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 100999891
2-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]butyl]oxan-4-yl]oxyacetic acid
CID 10320135
[(2R,3R,4S,5S,6R)-3-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 56627042
2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyacetic acid
CID 118668914
sodium 2-[3-[2-(diethylamino)ethoxy]-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetate
CID 160915960
2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyacetic acid
CID 101103369
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
[(3R,4R,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 69108412
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid
CID 11572561

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
The IUPAC name of 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid (CID 171369915) is 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid is O=C(O)CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OCC(=O)O.
What is the InChIKey of 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
The InChIKey is ANSSVALSMIXMQD-LIPFMBKLSA-N. The full InChI is InChI=1S/C10H16O10/c11-1-4-7(16)8(18-2-5(12)13)9(10(17)20-4)19-3-6(14)15/h4,7-11,16-17H,1-3H2,(H,12,13)(H,14,15)/t4-,7-,8+,9-,10?/m1/s1.
What are the key properties of 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid?
2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid has a molecular weight of 296.23 g/mol, XLogP of -3.00, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S,5R,6R)-3-(carboxymethoxy)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetic acid is sourced from PubChem (CID 171369915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).