2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

C10H17O8- — CID 59148848

IUPAC2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SMILESCC1C(O)CC(O)(C(=O)[O-])OC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c1-4-5(12)2-10(17,9(15)16)18-8(4)7(14)6(13)3-11/h4-8,11-14,17H,2-3H2,1H3,(H,15,16)/p-1/t4?,5?,6-,7-,8?,10?/m1/s1
InChIKeyJYGOZYYJQRWFHV-WGBLRWPGSA-M
MW265.24 g/mol
LogP-4.08
Rot. Bonds4

About 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate (PubChem CID 59148848) has the molecular formula C10H17O8- and a molecular weight of 265.24 g/mol. Its IUPAC name is 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.

Molecular Properties

Compound Name2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
PubChem CID59148848
Molecular FormulaC10H17O8-
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SMILESCC1C(O)CC(O)(C(=O)[O-])OC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c1-4-5(12)2-10(17,9(15)16)18-8(4)7(14)6(13)3-11/h4-8,11-14,17H,2-3H2,1H3,(H,15,16)/p-1/t4?,5?,6-,7-,8?,10?/m1/s1
InChIKeyJYGOZYYJQRWFHV-WGBLRWPGSA-M
XLogP-4.08
TPSA150.51 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 5-4.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(5R,6S)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 59331135
dicopper;tetrakis((2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate)
CID 173274703
bis((4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate);barium(2+)
CID 14074707
(4R,5R)-4-hydroxy-2,5-dimethyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 90347658
sodium N-[(2R,3R,4S,6S)-6-carboxy-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]ethanimidate
CID 102060492
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 59331138
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(4S,5R,6R)-2,4-dihydroxy-5-(hydroxyamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 140975112

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?
The IUPAC name of 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate (CID 59148848) is 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.
What is the SMILES notation for 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?
The canonical SMILES for 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate is CC1C(O)CC(O)(C(=O)[O-])OC1[C@H](O)[C@H](O)CO.
What is the InChIKey of 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?
The InChIKey is JYGOZYYJQRWFHV-WGBLRWPGSA-M. The full InChI is InChI=1S/C10H18O8/c1-4-5(12)2-10(17,9(15)16)18-8(4)7(14)6(13)3-11/h4-8,11-14,17H,2-3H2,1H3,(H,15,16)/p-1/t4?,5?,6-,7-,8?,10?/m1/s1.
What are the key properties of 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate?
2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate has a molecular weight of 265.24 g/mol, XLogP of -4.08, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate is sourced from PubChem (CID 59148848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).