(2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

C6H8O7 — CID 54715135

IUPAC(2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESO=C(O)C1=C(O)[C@@H](O)[C@H](O)[C@H](O)O1
InChIInChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6-/m1/s1
InChIKeyBPCLKHIDDIVGBM-HXFZCUHXSA-N
MW192.12 g/mol
LogP-2.09
Rot. Bonds1

About (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (PubChem CID 54715135) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
PubChem CID54715135
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name(2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
SMILESO=C(O)C1=C(O)[C@@H](O)[C@H](O)[C@H](O)O1
InChIInChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6-/m1/s1
InChIKeyBPCLKHIDDIVGBM-HXFZCUHXSA-N
XLogP-2.09
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The IUPAC name of (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CID 54715135) is (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid.
What is the SMILES notation for (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The canonical SMILES for (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is O=C(O)C1=C(O)[C@@H](O)[C@H](O)[C@H](O)O1.
What is the InChIKey of (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
The InChIKey is BPCLKHIDDIVGBM-HXFZCUHXSA-N. The full InChI is InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6-/m1/s1.
What are the key properties of (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid?
(2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid has a molecular weight of 192.12 g/mol, XLogP of -2.09, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2,3,4,5-tetrahydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid is sourced from PubChem (CID 54715135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).