(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol

C12H25O9P — CID 10759843

IUPAC(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
SMILESCCOP(=O)(C[C@@H](O)[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O)OCC
InChIInChI=1S/C12H25O9P/c1-4-19-22(17,20-5-2)6-7(13)11-9(15)8(14)10(16)12(18-3)21-11/h7-16H,4-6H2,1-3H3/t7-,8+,9+,10+,11-,12+/m1/s1
InChIKeyHZCRSFGZUWFPHB-QAWJZHMJSA-N
MW344.30 g/mol
LogP-0.93
Rot. Bonds8

About (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol

(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 10759843) has the molecular formula C12H25O9P and a molecular weight of 344.30 g/mol. Its IUPAC name is (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
PubChem CID10759843
Molecular FormulaC12H25O9P
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
SMILESCCOP(=O)(C[C@@H](O)[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O)OCC
InChIInChI=1S/C12H25O9P/c1-4-19-22(17,20-5-2)6-7(13)11-9(15)8(14)10(16)12(18-3)21-11/h7-16H,4-6H2,1-3H3/t7-,8+,9+,10+,11-,12+/m1/s1
InChIKeyHZCRSFGZUWFPHB-QAWJZHMJSA-N
XLogP-0.93
TPSA134.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol (CID 10759843) is (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol is CCOP(=O)(C[C@@H](O)[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O)OCC.
What is the InChIKey of (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is HZCRSFGZUWFPHB-QAWJZHMJSA-N. The full InChI is InChI=1S/C12H25O9P/c1-4-19-22(17,20-5-2)6-7(13)11-9(15)8(14)10(16)12(18-3)21-11/h7-16H,4-6H2,1-3H3/t7-,8+,9+,10+,11-,12+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol?
(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 344.30 g/mol, XLogP of -0.93, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 10759843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).