(3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol

C5H10O5 — CID 118445878

IUPAC(3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol
SMILES[2H]C([2H])(O)[C@H]1OC([2H])(O)[C@@H](O)C1O
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3?,4+,5?/m1/s1/i1D2,5D
InChIKeyHMFHBZSHGGEWLO-BUKCILFESA-N
MW153.15 g/mol
LogP-2.58
Rot. Bonds1

About (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol

(3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol (PubChem CID 118445878) has the molecular formula C5H10O5 and a molecular weight of 153.15 g/mol. Its IUPAC name is (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol
PubChem CID118445878
Molecular FormulaC5H10O5
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name(3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol
SMILES[2H]C([2H])(O)[C@H]1OC([2H])(O)[C@@H](O)C1O
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3?,4+,5?/m1/s1/i1D2,5D
InChIKeyHMFHBZSHGGEWLO-BUKCILFESA-N
XLogP-2.58
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-2.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-4-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol
CID 158521049
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4S,5S,6R)-2,6-dideuterio-2-[(2R,3S,4R,5R)-2,6-dideuterio-2-[dideuterio(hydroxy)methyl]-4,5,6-trihydroxyoxan-3-yl]oxy-6-[dideuterio(hydroxy)methyl]oxane-3,4,5-triol
CID 101446816
(3R,4R,5R,6S)-2-deuterio-6-methyloxane-2,3,4,5-tetrol
CID 175810466
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis[dideuterio(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-[dideuterio(hydroxy)methyl]oxane-3,4,5-triol
CID 139025265
(4R,5R)-4-deuterio-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 158521048
(2S,5S)-2-deuterio-2-[(2S,4S,5S)-2-deuterio-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140747075
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol?
The IUPAC name of (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol (CID 118445878) is (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol.
What is the SMILES notation for (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol?
The canonical SMILES for (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol is [2H]C([2H])(O)[C@H]1OC([2H])(O)[C@@H](O)C1O.
What is the InChIKey of (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol?
The InChIKey is HMFHBZSHGGEWLO-BUKCILFESA-N. The full InChI is InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3?,4+,5?/m1/s1/i1D2,5D.
What are the key properties of (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol?
(3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol has a molecular weight of 153.15 g/mol, XLogP of -2.58, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-2-deuterio-5-[dideuterio(hydroxy)methyl]oxolane-2,3,4-triol is sourced from PubChem (CID 118445878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).