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

C6H12O4 — CID 59378770

IUPAC(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
SMILESC[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4-,5+,6+/m0/s1
InChIKeyKBVSUNBCTPQWJL-UNTFVMJOSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds

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

(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol (PubChem CID 59378770) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
PubChem CID59378770
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
SMILESC[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4-,5+,6+/m0/s1
InChIKeyKBVSUNBCTPQWJL-UNTFVMJOSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol (CID 59378770) is (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol is C[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol?
The InChIKey is KBVSUNBCTPQWJL-UNTFVMJOSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4-,5+,6+/m0/s1.
What are the key properties of (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol?
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2-methyloxane-3,4,5-triol is sourced from PubChem (CID 59378770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).