(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol

C9H19O8P — CID 102592889

IUPAC(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol
SMILESCOP(=O)(C[C@@]1(O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)OC
InChIInChI=1S/C9H19O8P/c1-5-6(10)7(11)8(12)9(13,17-5)4-18(14,15-2)16-3/h5-8,10-13H,4H2,1-3H3/t5-,6-,7+,8+,9+/m0/s1
InChIKeyZLCKTNLZYYQUHU-OFPUPOEVSA-N
MW286.22 g/mol
LogP-1.34
Rot. Bonds4

About (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol

(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol (PubChem CID 102592889) has the molecular formula C9H19O8P and a molecular weight of 286.22 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol
PubChem CID102592889
Molecular FormulaC9H19O8P
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol
SMILESCOP(=O)(C[C@@]1(O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)OC
InChIInChI=1S/C9H19O8P/c1-5-6(10)7(11)8(12)9(13,17-5)4-18(14,15-2)16-3/h5-8,10-13H,4H2,1-3H3/t5-,6-,7+,8+,9+/m0/s1
InChIKeyZLCKTNLZYYQUHU-OFPUPOEVSA-N
XLogP-1.34
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
(2S,3S,4R,5S,6S)-2-(2-aminoheptyl)-6-methyloxane-2,3,4,5-tetrol
CID 70126366
(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
CID 166133374
(2R,3S,4R,5S,6S)-2-ethoxy-6-methyl-2-sulfanyloxane-3,4,5-triol
CID 174689500
[[(2R,4S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962940
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
CID 131086029
4-(dimethoxyphosphorylmethyl)-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol
CID 14217553
O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 67127490
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
CID 145429784
3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-sulfanyloxan-2-yl]propanoic acid
CID 22850435
ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
CID 143865006

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol (CID 102592889) is (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol is COP(=O)(C[C@@]1(O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)OC.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol?
The InChIKey is ZLCKTNLZYYQUHU-OFPUPOEVSA-N. The full InChI is InChI=1S/C9H19O8P/c1-5-6(10)7(11)8(12)9(13,17-5)4-18(14,15-2)16-3/h5-8,10-13H,4H2,1-3H3/t5-,6-,7+,8+,9+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol?
(2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol has a molecular weight of 286.22 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-(dimethoxyphosphorylmethyl)-6-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 102592889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).