methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate

C8H14O8 — CID 10399290

IUPACmethyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
SMILESCOC(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14O8/c1-14-8(13)15-2-3-4(9)5(10)6(11)7(12)16-3/h3-7,9-12H,2H2,1H3/t3-,4-,5+,6+,7?/m1/s1
InChIKeyBRAWUUMTEGQGCB-BWSJPXOBSA-N
MW238.19 g/mol
LogP-2.43
Rot. Bonds2

About methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate

methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate (PubChem CID 10399290) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate.

Molecular Properties

Compound Namemethyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
PubChem CID10399290
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Namemethyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
SMILESCOC(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14O8/c1-14-8(13)15-2-3-4(9)5(10)6(11)7(12)16-3/h3-7,9-12H,2H2,1H3/t3-,4-,5+,6+,7?/m1/s1
InChIKeyBRAWUUMTEGQGCB-BWSJPXOBSA-N
XLogP-2.43
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate
CID 101002627
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-methylprop-2-enoate
CID 123175000
methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate
CID 161366700
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-hydroxyoctanoate
CID 10805778
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 95369557
3-[[2-carboxy-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxycarbonylamino]ethyl]disulfanyl]-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxycarbonylamino]propanoic acid
CID 53380619
1-[[(2R,3R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propan-2-one
CID 59046447
[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octanoate
CID 101360009

Frequently Asked Questions

What is the IUPAC name of methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate?
The IUPAC name of methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate (CID 10399290) is methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate.
What is the SMILES notation for methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate?
The canonical SMILES for methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate is COC(=O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate?
The InChIKey is BRAWUUMTEGQGCB-BWSJPXOBSA-N. The full InChI is InChI=1S/C8H14O8/c1-14-8(13)15-2-3-4(9)5(10)6(11)7(12)16-3/h3-7,9-12H,2H2,1H3/t3-,4-,5+,6+,7?/m1/s1.
What are the key properties of methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate?
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate has a molecular weight of 238.19 g/mol, XLogP of -2.43, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate is sourced from PubChem (CID 10399290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).