[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate

C15H22O10 — CID 6613644

IUPAC[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O[C@H]1[C@@H](OC)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)OCC=C
InChIInChI=1S/C15H22O10/c1-4-6-21-14(18)24-11-10(17)9(8-16)23-13(20-3)12(11)25-15(19)22-7-5-2/h4-5,9-13,16-17H,1-2,6-8H2,3H3/t9-,10+,11+,12-,13+/m1/s1
InChIKeyBFPVIRSWQYKNHO-SJHCENCUSA-N
MW362.33 g/mol
LogP0.13
Rot. Bonds8

About [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate

[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate (PubChem CID 6613644) has the molecular formula C15H22O10 and a molecular weight of 362.33 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate
PubChem CID6613644
Molecular FormulaC15H22O10
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O[C@H]1[C@@H](OC)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)OCC=C
InChIInChI=1S/C15H22O10/c1-4-6-21-14(18)24-11-10(17)9(8-16)23-13(20-3)12(11)25-15(19)22-7-5-2/h4-5,9-13,16-17H,1-2,6-8H2,3H3/t9-,10+,11+,12-,13+/m1/s1
InChIKeyBFPVIRSWQYKNHO-SJHCENCUSA-N
XLogP0.13
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4S,5R,6R)-3-acetyloxy-5-hydroxy-2-methoxy-6-(prop-2-enoxycarbonyloxymethyl)oxan-4-yl] acetate
CID 102239278
[(2R,3R,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate
CID 11140408
[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(prop-2-enoxycarbonyloxy)oxan-3-yl] benzoate
CID 6613806
[5-(2-aminopropanoyloxy)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 2-aminopropanoate
CID 74003089
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxane-3,4-diol
CID 11806580
[(2R,3R,4R,5R,6S)-3-diphenoxyphosphoryloxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate
CID 6613764
[(2R,3R,4S,5R,6S)-5-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (2S,3S)-2-amino-3-methylpentanoate
CID 129138358
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 11821811
2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 73117029
[(2R,3R,4S,5S)-5-dodecanoyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] dodecanoate
CID 54277734
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl] acetate
CID 54161603
(2R,3R,4R,5S)-5-(hydroxymethyl)-2-methoxy-4-prop-2-enoxyoxolan-3-ol
CID 639388

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate?
The IUPAC name of [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate (CID 6613644) is [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate?
The canonical SMILES for [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate is C=CCOC(=O)O[C@H]1[C@@H](OC)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)OCC=C.
What is the InChIKey of [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate?
The InChIKey is BFPVIRSWQYKNHO-SJHCENCUSA-N. The full InChI is InChI=1S/C15H22O10/c1-4-6-21-14(18)24-11-10(17)9(8-16)23-13(20-3)12(11)25-15(19)22-7-5-2/h4-5,9-13,16-17H,1-2,6-8H2,3H3/t9-,10+,11+,12-,13+/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate?
[(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate has a molecular weight of 362.33 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxycarbonyloxyoxan-4-yl] prop-2-enyl carbonate is sourced from PubChem (CID 6613644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).