(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol

C9H18O5 — CID 171600108

IUPAC(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
SMILESCC(C)OC1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-4(2)13-9-8(12)7(11)6(10)5(3)14-9/h4-12H,1-3H3/t5-,6-,7+,8+,9?/m1/s1
InChIKeyRQZRUQFNUZLSPX-PPRREVKSSA-N
MW206.24 g/mol
LogP-0.76
Rot. Bonds2

About (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol

(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol (PubChem CID 171600108) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
PubChem CID171600108
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
SMILESCC(C)OC1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H18O5/c1-4(2)13-9-8(12)7(11)6(10)5(3)14-9/h4-12H,1-3H3/t5-,6-,7+,8+,9?/m1/s1
InChIKeyRQZRUQFNUZLSPX-PPRREVKSSA-N
XLogP-0.76
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol (CID 171600108) is (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol is CC(C)OC1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol?
The InChIKey is RQZRUQFNUZLSPX-PPRREVKSSA-N. The full InChI is InChI=1S/C9H18O5/c1-4(2)13-9-8(12)7(11)6(10)5(3)14-9/h4-12H,1-3H3/t5-,6-,7+,8+,9?/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol?
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 171600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).