(3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol

C8H16O7 — CID 141346272

IUPAC(3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol
SMILES[2H]C(O)COCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O7/c9-1-2-14-4-8(13)7(12)6(11)5(10)3-15-8/h5-7,9-13H,1-4H2/t5-,6-,7+,8?/m1/s1/i1D/t1?,5-,6-,7+,8?
InChIKeyUDBKRKBDBYIAQZ-FOIGBFIBSA-N
MW225.22 g/mol
LogP-3.20
Rot. Bonds4

About (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol

(3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol (PubChem CID 141346272) has the molecular formula C8H16O7 and a molecular weight of 225.22 g/mol. Its IUPAC name is (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol
PubChem CID141346272
Molecular FormulaC8H16O7
Molecular Weight225.22 g/mol
Exact Mass225.10
IUPAC Name(3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol
SMILES[2H]C(O)COCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O7/c9-1-2-14-4-8(13)7(12)6(11)5(10)3-15-8/h5-7,9-13H,1-4H2/t5-,6-,7+,8?/m1/s1/i1D/t1?,5-,6-,7+,8?
InChIKeyUDBKRKBDBYIAQZ-FOIGBFIBSA-N
XLogP-3.20
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-3.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
CID 57069557
(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol
CID 57118345
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 56657680
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxy(213C)oxan-2-yl]methyl dihydrogen phosphate
CID 52916946
[(3S,4S,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 14010979
(2R,3S,4S,5R)-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 102214945
[(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate
CID 90657230
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol (CID 141346272) is (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol is [2H]C(O)COCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is UDBKRKBDBYIAQZ-FOIGBFIBSA-N. The full InChI is InChI=1S/C8H16O7/c9-1-2-14-4-8(13)7(12)6(11)5(10)3-15-8/h5-7,9-13H,1-4H2/t5-,6-,7+,8?/m1/s1/i1D/t1?,5-,6-,7+,8?.
What are the key properties of (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol?
(3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol has a molecular weight of 225.22 g/mol, XLogP of -3.20, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-2-[(2-deuterio-2-hydroxyethoxy)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 141346272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).