[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate

C8H17O10P — CID 57343992

IUPAC[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate
SMILESC[C@]1(O)O[C@H]([C@H](O)COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17O10P/c1-8(13)7(12)5(11)4(10)6(18-8)3(9)2-17-19(14,15)16/h3-7,9-13H,2H2,1H3,(H2,14,15,16)/t3-,4+,5+,6-,7-,8+/m1/s1
InChIKeyLKCCWXXEMSLAFZ-JMELQFKFSA-N
MW304.19 g/mol
LogP-3.35
Rot. Bonds4

About [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate

[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate (PubChem CID 57343992) has the molecular formula C8H17O10P and a molecular weight of 304.19 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate
PubChem CID57343992
Molecular FormulaC8H17O10P
Molecular Weight304.19 g/mol
Exact Mass304.06
IUPAC Name[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate
SMILESC[C@]1(O)O[C@H]([C@H](O)COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17O10P/c1-8(13)7(12)5(11)4(10)6(18-8)3(9)2-17-19(14,15)16/h3-7,9-13H,2H2,1H3,(H2,14,15,16)/t3-,4+,5+,6-,7-,8+/m1/s1
InChIKeyLKCCWXXEMSLAFZ-JMELQFKFSA-N
XLogP-3.35
TPSA177.14 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.19
LogP ≤ 5-3.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S)-3,4,5-trihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 135075716
(2S,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-2-methyloxane-2,3,4,5-tetrol
CID 140632524
[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
CID 67951833
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
(2R,4R,6S)-2,4-dihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxyethyl]oxane-2-carboxylic acid
CID 102014647
[(2R,3S,4R,5R,6R)-5-amino-3,4,6-trihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
CID 140558629
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051
O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 67127490
[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-phosphonooxy-2H-furan-2-yl]ethyl] dihydrogen phosphate
CID 101026810
[(3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 141311551
[(2R,3R,4S)-2,3,4-trihydroxy-4-(oxiran-2-yl)butyl] dihydrogen phosphate
CID 10681714

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate (CID 57343992) is [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate is C[C@]1(O)O[C@H]([C@H](O)COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate?
The InChIKey is LKCCWXXEMSLAFZ-JMELQFKFSA-N. The full InChI is InChI=1S/C8H17O10P/c1-8(13)7(12)5(11)4(10)6(18-8)3(9)2-17-19(14,15)16/h3-7,9-13H,2H2,1H3,(H2,14,15,16)/t3-,4+,5+,6-,7-,8+/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate?
[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate has a molecular weight of 304.19 g/mol, XLogP of -3.35, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate is sourced from PubChem (CID 57343992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).