(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene

C16H20O6 — CID 68554455

IUPAC(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H12O6/c1-2-6-10-8-4-3-7-9(10)5-1;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-8H;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyAVYCYWWZAXGQSC-MSPHXDAXSA-N
MW308.33 g/mol
LogP-0.38
Rot. Bonds1

About (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene

(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene (PubChem CID 68554455) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
PubChem CID68554455
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H12O6/c1-2-6-10-8-4-3-7-9(10)5-1;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-8H;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyAVYCYWWZAXGQSC-MSPHXDAXSA-N
XLogP-0.38
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene?
The IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene (CID 68554455) is (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene.
What is the SMILES notation for (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene?
The canonical SMILES for (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene is OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc2ccccc2c1.
What is the InChIKey of (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene?
The InChIKey is AVYCYWWZAXGQSC-MSPHXDAXSA-N. The full InChI is InChI=1S/C10H8.C6H12O6/c1-2-6-10-8-4-3-7-9(10)5-1;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-8H;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1.
What are the key properties of (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene?
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene has a molecular weight of 308.33 g/mol, XLogP of -0.38, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene is sourced from PubChem (CID 68554455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).