(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol

C21H32O6 — CID 146682706

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol
SMILESCc1cc2c(c(C)c1C)CCC[C@]2(C)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H32O6/c1-11-8-15-14(13(3)12(11)2)6-5-7-21(15,4)10-26-20-19(25)18(24)17(23)16(9-22)27-20/h8,16-20,22-25H,5-7,9-10H2,1-4H3/t16-,17-,18+,19-,20+,21-/m1/s1
InChIKeyRZUMCDWBHXJPOI-OXZADQLBSA-N
MW380.48 g/mol
LogP1.02
Rot. Bonds4

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol (PubChem CID 146682706) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol
PubChem CID146682706
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol
SMILESCc1cc2c(c(C)c1C)CCC[C@]2(C)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H32O6/c1-11-8-15-14(13(3)12(11)2)6-5-7-21(15,4)10-26-20-19(25)18(24)17(23)16(9-22)27-20/h8,16-20,22-25H,5-7,9-10H2,1-4H3/t16-,17-,18+,19-,20+,21-/m1/s1
InChIKeyRZUMCDWBHXJPOI-OXZADQLBSA-N
XLogP1.02
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol with MolForge

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(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,4aR,4bS,6aS,11aS,11bR)-8-(4-hydroxy-3-methylbutyl)-4a,6a,7-trimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 137645642
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Sioxanthin
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(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol (CID 146682706) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol is Cc1cc2c(c(C)c1C)CCC[C@]2(C)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is RZUMCDWBHXJPOI-OXZADQLBSA-N. The full InChI is InChI=1S/C21H32O6/c1-11-8-15-14(13(3)12(11)2)6-5-7-21(15,4)10-26-20-19(25)18(24)17(23)16(9-22)27-20/h8,16-20,22-25H,5-7,9-10H2,1-4H3/t16-,17-,18+,19-,20+,21-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 380.48 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S)-1,5,6,7-tetramethyl-3,4-dihydro-2H-naphthalen-1-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 146682706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).