tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate

C24H38O10 — CID 101164675

IUPACtetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate
SMILESCC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)[C@](O)(C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)O1
InChIInChI=1S/C24H38O10/c1-20(2,3)31-16(25)13-14(17(26)32-21(4,5)6)30-15(18(27)33-22(7,8)9)24(13,29)19(28)34-23(10,11)12/h15,29H,1-12H3/t15-,24-/m1/s1
InChIKeyFYQIGWVIDFXKAM-OYLFLEFRSA-N
MW486.56 g/mol
LogP2.74
Rot. Bonds4

About tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate

tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate (PubChem CID 101164675) has the molecular formula C24H38O10 and a molecular weight of 486.56 g/mol. Its IUPAC name is tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate
PubChem CID101164675
Molecular FormulaC24H38O10
Molecular Weight486.56 g/mol
Exact Mass486.25
IUPAC Nametetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate
SMILESCC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)[C@](O)(C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)O1
InChIInChI=1S/C24H38O10/c1-20(2,3)31-16(25)13-14(17(26)32-21(4,5)6)30-15(18(27)33-22(7,8)9)24(13,29)19(28)34-23(10,11)12/h15,29H,1-12H3/t15-,24-/m1/s1
InChIKeyFYQIGWVIDFXKAM-OYLFLEFRSA-N
XLogP2.74
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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tritert-butyl (2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4,5,6-tricarboxylate
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3-Hydroxy-1-oxalooxybut-1-ene-1,2,3,4-tetracarboxylic acid
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2-[2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 66714042
sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 67202983
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-hydroxypropane-1,2,3-tricarboxylate
CID 67202984
Citric Acid Ascorbic Acid
CID 67319458
calcium 2-[2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]-2-oxoethyl]-2-hydroxybutanedioate
CID 67393494

Frequently Asked Questions

What is the IUPAC name of tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate?
The IUPAC name of tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate (CID 101164675) is tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate.
What is the SMILES notation for tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate?
The canonical SMILES for tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate is CC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)[C@](O)(C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)O1.
What is the InChIKey of tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate?
The InChIKey is FYQIGWVIDFXKAM-OYLFLEFRSA-N. The full InChI is InChI=1S/C24H38O10/c1-20(2,3)31-16(25)13-14(17(26)32-21(4,5)6)30-15(18(27)33-22(7,8)9)24(13,29)19(28)34-23(10,11)12/h15,29H,1-12H3/t15-,24-/m1/s1.
What are the key properties of tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate?
tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate has a molecular weight of 486.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetratert-butyl (2S,3R)-3-hydroxy-2H-furan-2,3,4,5-tetracarboxylate is sourced from PubChem (CID 101164675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).