(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol

C10H20O4 — CID 58716381

IUPAC(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
SMILESCC1O[C@@H](C(C)(C)C)[C@H](O)C(O)[C@H]1O
InChIInChI=1S/C10H20O4/c1-5-6(11)7(12)8(13)9(14-5)10(2,3)4/h5-9,11-13H,1-4H3/t5?,6-,7?,8+,9+/m0/s1
InChIKeyNXNSMXMLXJGJFW-YRZMWMJCSA-N
MW204.27 g/mol
LogP-0.10
Rot. Bonds

About (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol

(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol (PubChem CID 58716381) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
PubChem CID58716381
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
SMILESCC1O[C@@H](C(C)(C)C)[C@H](O)C(O)[C@H]1O
InChIInChI=1S/C10H20O4/c1-5-6(11)7(12)8(13)9(14-5)10(2,3)4/h5-9,11-13H,1-4H3/t5?,6-,7?,8+,9+/m0/s1
InChIKeyNXNSMXMLXJGJFW-YRZMWMJCSA-N
XLogP-0.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
2-tert-butyl-6-methyloxane-3,4,5-triol;4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 167544640
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol (CID 58716381) is (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol is CC1O[C@@H](C(C)(C)C)[C@H](O)C(O)[C@H]1O.
What is the InChIKey of (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol?
The InChIKey is NXNSMXMLXJGJFW-YRZMWMJCSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-6(11)7(12)8(13)9(14-5)10(2,3)4/h5-9,11-13H,1-4H3/t5?,6-,7?,8+,9+/m0/s1.
What are the key properties of (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol?
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol has a molecular weight of 204.27 g/mol, XLogP of -0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 58716381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).