(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol

C8H16O8 — CID 70476129

IUPAC(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
SMILESOCC(O)C(O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O8/c9-1-2(10)3(11)7-5(13)4(12)6(14)8(15)16-7/h2-15H,1H2/t2?,3?,4-,5-,6-,7+,8-/m0/s1
InChIKeyBIYJBQHXBNFTFX-JYSLPCQOSA-N
MW240.21 g/mol
LogP-4.50
Rot. Bonds3

About (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol

(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol (PubChem CID 70476129) has the molecular formula C8H16O8 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
PubChem CID70476129
Molecular FormulaC8H16O8
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
SMILESOCC(O)C(O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O8/c9-1-2(10)3(11)7-5(13)4(12)6(14)8(15)16-7/h2-15H,1H2/t2?,3?,4-,5-,6-,7+,8-/m0/s1
InChIKeyBIYJBQHXBNFTFX-JYSLPCQOSA-N
XLogP-4.50
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.21
LogP ≤ 5-4.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67823819
(2R)-5-(1,2,3-trihydroxypropyl)oxolane-2,3,4-triol
CID 22887183
(3R,4S,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67824107
(3R,4S,5S,6R)-6-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]oxane-2,3,4,5-tetrol
CID 91197418
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol (CID 70476129) is (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol is OCC(O)C(O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol?
The InChIKey is BIYJBQHXBNFTFX-JYSLPCQOSA-N. The full InChI is InChI=1S/C8H16O8/c9-1-2(10)3(11)7-5(13)4(12)6(14)8(15)16-7/h2-15H,1H2/t2?,3?,4-,5-,6-,7+,8-/m0/s1.
What are the key properties of (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol?
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol has a molecular weight of 240.21 g/mol, XLogP of -4.50, 3 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 70476129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).