(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol

C10H16O4 — CID 90365440

IUPAC(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol
SMILESCC#C[C@H]1O[C@H](CO)[C@@H](O)[C@H](C)[C@@H]1O
InChIInChI=1S/C10H16O4/c1-3-4-7-9(12)6(2)10(13)8(5-11)14-7/h6-13H,5H2,1-2H3/t6-,7-,8-,9+,10+/m1/s1
InChIKeyWNIBPSFDNRHDNY-VFCFLDTKSA-N
MW200.23 g/mol
LogP-0.87
Rot. Bonds1

About (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol (PubChem CID 90365440) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol
PubChem CID90365440
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol
SMILESCC#C[C@H]1O[C@H](CO)[C@@H](O)[C@H](C)[C@@H]1O
InChIInChI=1S/C10H16O4/c1-3-4-7-9(12)6(2)10(13)8(5-11)14-7/h6-13H,5H2,1-2H3/t6-,7-,8-,9+,10+/m1/s1
InChIKeyWNIBPSFDNRHDNY-VFCFLDTKSA-N
XLogP-0.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5S,6R)-6-ethyl-5-methyl-2-prop-1-ynyloxane-3,4-diol
CID 90365468
(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4-dimethyloxane-2,5-diol
CID 90247742
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
CID 90293180
CID 90129061
CID 90129061
CID 147807924
CID 147807924
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol?
The IUPAC name of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol (CID 90365440) is (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol?
The canonical SMILES for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol is CC#C[C@H]1O[C@H](CO)[C@@H](O)[C@H](C)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol?
The InChIKey is WNIBPSFDNRHDNY-VFCFLDTKSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-4-7-9(12)6(2)10(13)8(5-11)14-7/h6-13H,5H2,1-2H3/t6-,7-,8-,9+,10+/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol?
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol has a molecular weight of 200.23 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-4-methyl-6-prop-1-ynyloxane-3,5-diol is sourced from PubChem (CID 90365440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).